1-[4-methyl-3-(trifluoromethyl)phenyl]methanamine

1-[4-methyl-3-(trifluoromethyl)phenyl]methanamine

CAS: 771581-64-7

Formula: C9H10F3N

SMILES: CC1=C(C=C(CN)C=C1)C(F)(F)F

IUPAC: 1-[4-methyl-3-(trifluoromethyl)phenyl]methanamine

InChI: InChI=1S/C9H10F3N/c1-6-2-3-7(5-13)4-8(6)9(10,11)12/h2-4H,5,13H2,1H3

Composition: C (57.14%), H (5.33%), F (30.13%), N (7.40%)

Molar Mass: 189.181

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.076533815
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	QPMGRSWJTRAJIK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.55
Topological Polar Surface Area	26.02
Polarizability	16.53
Ring Count	1
Rotatable Bond Count	2

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