3-(benzyloxy)-N-[(4-fluorophenyl)methyl]aniline

3-(benzyloxy)-N-[(4-fluorophenyl)methyl]aniline

CAS: 1040688-31-0

Formula: C20H18FNO

SMILES: FC1=CC=C(CNC2=CC(OCC3=CC=CC=C3)=CC=C2)C=C1

IUPAC: 3-(benzyloxy)-N-[(4-fluorophenyl)methyl]aniline

InChI: InChI=1S/C20H18FNO/c21-18-11-9-16(10-12-18)14-22-19-7-4-8-20(13-19)23-15-17-5-2-1-3-6-17/h1-13,22H,14-15H2

Composition: C (78.15%), H (5.90%), F (6.18%), N (4.56%), O (5.21%)

Molar Mass: 307.368

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	307.137242367
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NWBZKIVHTRIDBE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.16
Topological Polar Surface Area	21.26
Polarizability	34.67
Ring Count	3
Rotatable Bond Count	6

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