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

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

CAS: 1040688-18-3

Formula: C25H29NO3

SMILES: CC(C)COC1=CC=C(NCC2=CC=C(OCCOC3=CC=CC=C3)C=C2)C=C1

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

InChI: InChI=1S/C25H29NO3/c1-20(2)19-29-25-14-10-22(11-15-25)26-18-21-8-12-24(13-9-21)28-17-16-27-23-6-4-3-5-7-23/h3-15,20,26H,16-19H2,1-2H3

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	YPDFCVLCLALJOR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	118.09
Topological Polar Surface Area	39.72
Polarizability	45.6
Ring Count	3
Rotatable Bond Count	11

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