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

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

CAS: 1040686-45-0

Formula: C25H29NO4

SMILES: CCOCCOC1=CC=C(CNC2=CC(OCCOC3=CC=CC=C3)=CC=C2)C=C1

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

InChI: InChI=1S/C25H29NO4/c1-2-27-15-16-28-24-13-11-21(12-14-24)20-26-22-7-6-10-25(19-22)30-18-17-29-23-8-4-3-5-9-23/h3-14,19,26H,2,15-18,20H2,1H3

Composition: C (73.69%), H (7.17%), N (3.44%), O (15.70%)

Molar Mass: 407.51

Atom Count: 59

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	407.209658418
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KCGDEEKZYZATDE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.14
Topological Polar Surface Area	48.95
Polarizability	46.27
Ring Count	3
Rotatable Bond Count	13

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