2-fluoro-N-{[4-(2-phenoxyethoxy)phenyl]methyl}aniline

2-fluoro-N-{[4-(2-phenoxyethoxy)phenyl]methyl}aniline

CAS: 1040685-97-9

Formula: C21H20FNO2

SMILES: FC1=C(NCC2=CC=C(OCCOC3=CC=CC=C3)C=C2)C=CC=C1

IUPAC: 2-fluoro-N-{[4-(2-phenoxyethoxy)phenyl]methyl}aniline

InChI: InChI=1S/C21H20FNO2/c22-20-8-4-5-9-21(20)23-16-17-10-12-19(13-11-17)25-15-14-24-18-6-2-1-3-7-18/h1-13,23H,14-16H2

Composition: C (74.76%), H (5.98%), F (5.63%), N (4.15%), O (9.48%)

Molar Mass: 337.394

Atom Count: 45

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	337.147807051
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IQNSTAHDZQWDCQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.1
Topological Polar Surface Area	30.49
Polarizability	37.18
Ring Count	3
Rotatable Bond Count	8

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