3-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxyaniline

3-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxyaniline

CAS: 1040685-49-1

Formula: C17H20ClNO2

SMILES: COC1=C(Cl)C=C(NCCOC2=CC(C)=CC(C)=C2)C=C1

IUPAC: 3-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxyaniline

InChI: InChI=1S/C17H20ClNO2/c1-12-8-13(2)10-15(9-12)21-7-6-19-14-4-5-17(20-3)16(18)11-14/h4-5,8-11,19H,6-7H2,1-3H3

Composition: C (66.77%), H (6.59%), Cl (11.59%), N (4.58%), O (10.46%)

Molar Mass: 305.8

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	305.1182566
Formal Charge	0
FSP3	0.29
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FMUMELDTLSHNSI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.15
Topological Polar Surface Area	30.49
Polarizability	33.35
Ring Count	2
Rotatable Bond Count	6

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1040685-49-1		$212.83$212.83