2-butoxy-N-[(4-butoxyphenyl)methyl]aniline

2-butoxy-N-[(4-butoxyphenyl)methyl]aniline

CAS: 95003-93-3

Formula: C21H29NO2

SMILES: CCCCOC1=CC=C(CNC2=C(OCCCC)C=CC=C2)C=C1

IUPAC: 2-butoxy-N-[(4-butoxyphenyl)methyl]aniline

InChI: InChI=1S/C21H29NO2/c1-3-5-15-23-19-13-11-18(12-14-19)17-22-20-9-7-8-10-21(20)24-16-6-4-2/h7-14,22H,3-6,15-17H2,1-2H3

Composition: C (77.02%), H (8.93%), N (4.28%), O (9.77%)

Molar Mass: 327.468

Atom Count: 53

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	327.219829178
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HBSCSXXQNDCFAR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.54
Topological Polar Surface Area	30.49
Polarizability	39.02
Ring Count	2
Rotatable Bond Count	11

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