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

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

CAS: 1040692-00-9

Formula: C29H29NO3

SMILES: C(COC1=CC=C(NCC2=CC(OCCC3=CC=CC=C3)=CC=C2)C=C1)OC1=CC=CC=C1

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

InChI: InChI=1S/C29H29NO3/c1-3-8-24(9-4-1)18-19-31-29-13-7-10-25(22-29)23-30-26-14-16-28(17-15-26)33-21-20-32-27-11-5-2-6-12-27/h1-17,22,30H,18-21,23H2

Composition: C (79.24%), H (6.65%), N (3.19%), O (10.92%)

Molar Mass: 439.555

Atom Count: 62

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	439.214743798
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MXUFHPUBMZLXNQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.71
Topological Polar Surface Area	39.72
Polarizability	51.45
Ring Count	4
Rotatable Bond Count	12

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