[2-(3,4-dimethoxyphenyl)ethyl][(4-fluorophenyl)methyl]amine

[2-(3,4-dimethoxyphenyl)ethyl][(4-fluorophenyl)methyl]amine

CAS: 353779-44-9

Formula: C17H20FNO2

SMILES: COC1=C(OC)C=C(CCNCC2=CC=C(F)C=C2)C=C1

IUPAC: [2-(3,4-dimethoxyphenyl)ethyl][(4-fluorophenyl)methyl]amine

InChI: InChI=1S/C17H20FNO2/c1-20-16-8-5-13(11-17(16)21-2)9-10-19-12-14-3-6-15(18)7-4-14/h3-8,11,19H,9-10,12H2,1-2H3

Composition: C (70.57%), H (6.97%), F (6.57%), N (4.84%), O (11.06%)

Molar Mass: 289.35

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	289.147807051
Formal Charge	0
FSP3	0.29
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VFVBZCVQNMHHOL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.82
Topological Polar Surface Area	30.49
Polarizability	31.58
Ring Count	2
Rotatable Bond Count	7

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