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

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

CAS: 1040691-45-9

Formula: C27H33NO3

SMILES: CCCCCCOC1=CC=C(CNC2=CC=C(OCCOC3=CC=CC=C3)C=C2)C=C1

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

InChI: InChI=1S/C27H33NO3/c1-2-3-4-8-19-29-26-15-11-23(12-16-26)22-28-24-13-17-27(18-14-24)31-21-20-30-25-9-6-5-7-10-25/h5-7,9-18,28H,2-4,8,19-22H2,1H3

Composition: C (77.29%), H (7.93%), N (3.34%), O (11.44%)

Molar Mass: 419.565

Atom Count: 64

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	419.246043927
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SLWUOIVBIXTFHY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	127.42
Topological Polar Surface Area	39.72
Polarizability	49.29
Ring Count	3
Rotatable Bond Count	14

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