N-{[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl}cyclopropanamine

N-{[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl}cyclopropanamine

Formula: C16H18ClNO2S

SMILES: COC1=CC(CNC2CC2)=CC(Cl)=C1OCC1=CC=CS1

IUPAC: N-({3-chloro-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)cyclopropanamine

InChI: InChI=1S/C16H18ClNO2S/c1-19-15-8-11(9-18-12-4-5-12)7-14(17)16(15)20-10-13-3-2-6-21-13/h2-3,6-8,12,18H,4-5,9-10H2,1H3

Composition: C (59.34%), H (5.60%), Cl (10.95%), N (4.33%), O (9.88%), S (9.90%)

Molar Mass: 323.84

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	323.0746777
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VGDUMCKJHHLVGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.75
Topological Polar Surface Area	30.49
Polarizability	33.67
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H18ClNO2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00