4-butoxy-N-{[4-(3-methylbutoxy)phenyl]methyl}aniline

4-butoxy-N-{[4-(3-methylbutoxy)phenyl]methyl}aniline

CAS: 1040687-57-7

Formula: C22H31NO2

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

IUPAC: 4-butoxy-N-{[4-(3-methylbutoxy)phenyl]methyl}aniline

InChI: InChI=1S/C22H31NO2/c1-4-5-15-24-22-12-8-20(9-13-22)23-17-19-6-10-21(11-7-19)25-16-14-18(2)3/h6-13,18,23H,4-5,14-17H2,1-3H3

Composition: C (77.38%), H (9.15%), N (4.10%), O (9.37%)

Molar Mass: 341.495

Atom Count: 56

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	341.235479242
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MEMGNVHPVPBTAQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	106.09
Topological Polar Surface Area	30.49
Polarizability	40.86
Ring Count	2
Rotatable Bond Count	11

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