2-butoxy-N-{[4-(2-methylpropoxy)phenyl]methyl}aniline

2-butoxy-N-{[4-(2-methylpropoxy)phenyl]methyl}aniline

CAS: 1040689-57-3

Formula: C21H29NO2

SMILES: CCCCOC1=C(NCC2=CC=C(OCC(C)C)C=C2)C=CC=C1

IUPAC: 2-butoxy-N-{[4-(2-methylpropoxy)phenyl]methyl}aniline

InChI: InChI=1S/C21H29NO2/c1-4-5-14-23-21-9-7-6-8-20(21)22-15-18-10-12-19(13-11-18)24-16-17(2)3/h6-13,17,22H,4-5,14-16H2,1-3H3

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	KCMVNQQPGSZZLJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.41
Topological Polar Surface Area	30.49
Polarizability	39.02
Ring Count	2
Rotatable Bond Count	10

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