N-(cyclopropylmethyl)-4-methoxy-3-(trifluoromethyl)aniline

N-(cyclopropylmethyl)-4-methoxy-3-(trifluoromethyl)aniline

CAS: 1397198-62-7

Formula: C12H14F3NO

SMILES: COC1=C(C=C(NCC2CC2)C=C1)C(F)(F)F

IUPAC: N-(cyclopropylmethyl)-4-methoxy-3-(trifluoromethyl)aniline

InChI: InChI=1S/C12H14F3NO/c1-17-11-5-4-9(16-7-8-2-3-8)6-10(11)12(13,14)15/h4-6,8,16H,2-3,7H2,1H3

Composition: C (58.77%), H (5.75%), F (23.24%), N (5.71%), O (6.52%)

Molar Mass: 245.245

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.102748564
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KBGUVISBRSVWDY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.63
Topological Polar Surface Area	21.26
Polarizability	21.73
Ring Count	2
Rotatable Bond Count	5

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95%	<5 Days	1397198-62-7		$1,474.00-$3,894.00$1,474.00$2,596.00$3,894.00