N-{[4-(heptyloxy)phenyl]methyl}-2-methoxyaniline

N-{[4-(heptyloxy)phenyl]methyl}-2-methoxyaniline

CAS: 1040684-12-5

Formula: C21H29NO2

SMILES: CCCCCCCOC1=CC=C(CNC2=C(OC)C=CC=C2)C=C1

IUPAC: N-{[4-(heptyloxy)phenyl]methyl}-2-methoxyaniline

InChI: InChI=1S/C21H29NO2/c1-3-4-5-6-9-16-24-19-14-12-18(13-15-19)17-22-20-10-7-8-11-21(20)23-2/h7-8,10-15,22H,3-6,9,16-17H2,1-2H3

Composition: C (77.02%), H (8.93%), N (4.28%), O (9.77%)

Molar Mass: 327.468

Atom Count: 53

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	327.219829178
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QJPCBMBYNOUCLD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.47
Topological Polar Surface Area	30.49
Polarizability	39.02
Ring Count	2
Rotatable Bond Count	11

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