3,5-dimethyl-N-{[4-(3-methylbutoxy)phenyl]methyl}aniline

3,5-dimethyl-N-{[4-(3-methylbutoxy)phenyl]methyl}aniline

CAS: 1040686-94-9

Formula: C20H27NO

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

IUPAC: 3,5-dimethyl-N-{[4-(3-methylbutoxy)phenyl]methyl}aniline

InChI: InChI=1S/C20H27NO/c1-15(2)9-10-22-20-7-5-18(6-8-20)14-21-19-12-16(3)11-17(4)13-19/h5-8,11-13,15,21H,9-10,14H2,1-4H3

Composition: C (80.76%), H (9.15%), N (4.71%), O (5.38%)

Molar Mass: 297.442

Atom Count: 49

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	297.209264493
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JQNKNIDLLOHRHA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	95.83
Topological Polar Surface Area	21.26
Polarizability	36.37
Ring Count	2
Rotatable Bond Count	7

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