N-[(2-ethoxyphenyl)methyl]-3-(3-methylbutoxy)aniline

N-[(2-ethoxyphenyl)methyl]-3-(3-methylbutoxy)aniline

CAS: 1040684-50-1

Formula: C20H27NO2

SMILES: CCOC1=C(CNC2=CC(OCCC(C)C)=CC=C2)C=CC=C1

IUPAC: N-[(2-ethoxyphenyl)methyl]-3-(3-methylbutoxy)aniline

InChI: InChI=1S/C20H27NO2/c1-4-22-20-11-6-5-8-17(20)15-21-18-9-7-10-19(14-18)23-13-12-16(2)3/h5-11,14,16,21H,4,12-13,15H2,1-3H3

Composition: C (76.64%), H (8.68%), N (4.47%), O (10.21%)

Molar Mass: 313.441

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	313.204179113
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FNXYWEQWGPFOBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.96
Topological Polar Surface Area	30.49
Polarizability	37.17
Ring Count	2
Rotatable Bond Count	9

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