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

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

CAS: 1040683-35-9

Formula: C25H29NO3

SMILES: CCCCOC1=CC=CC(NCC2=CC=C(OCCOC3=CC=CC=C3)C=C2)=C1

IUPAC: 3-butoxy-N-{[4-(2-phenoxyethoxy)phenyl]methyl}aniline

InChI: InChI=1S/C25H29NO3/c1-2-3-16-27-25-11-7-8-22(19-25)26-20-21-12-14-24(15-13-21)29-18-17-28-23-9-5-4-6-10-23/h4-15,19,26H,2-3,16-18,20H2,1H3

Composition: C (76.70%), H (7.47%), N (3.58%), O (12.26%)

Molar Mass: 391.511

Atom Count: 58

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	391.214743798
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GKVXCSGZBOAOBF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	118.22
Topological Polar Surface Area	39.72
Polarizability	45.6
Ring Count	3
Rotatable Bond Count	12

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