2,5-dimethyl-N-{[3-(2-phenylethoxy)phenyl]methyl}aniline

2,5-dimethyl-N-{[3-(2-phenylethoxy)phenyl]methyl}aniline

CAS: 1040687-88-4

Formula: C23H25NO

SMILES: CC1=CC(NCC2=CC(OCCC3=CC=CC=C3)=CC=C2)=C(C)C=C1

IUPAC: 2,5-dimethyl-N-{[3-(2-phenylethoxy)phenyl]methyl}aniline

InChI: InChI=1S/C23H25NO/c1-18-11-12-19(2)23(15-18)24-17-21-9-6-10-22(16-21)25-14-13-20-7-4-3-5-8-20/h3-12,15-16,24H,13-14,17H2,1-2H3

Composition: C (83.34%), H (7.60%), N (4.23%), O (4.83%)

Molar Mass: 331.459

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	331.193614429
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IHKUUWAXXTXBPS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	106.78
Topological Polar Surface Area	21.26
Polarizability	40.39
Ring Count	3
Rotatable Bond Count	7

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