4-(2-cyclohexylethoxy)-N-{2-[4-(2-methylbutan-2-yl)phenoxy]ethyl}aniline

4-(2-cyclohexylethoxy)-N-{2-[4-(2-methylbutan-2-yl)phenoxy]ethyl}aniline

CAS: 1040679-73-9

Formula: C27H39NO2

SMILES: CCC(C)(C)C1=CC=C(OCCNC2=CC=C(OCCC3CCCCC3)C=C2)C=C1

IUPAC: 4-(2-cyclohexylethoxy)-N-{2-[4-(2-methylbutan-2-yl)phenoxy]ethyl}aniline

InChI: InChI=1S/C27H39NO2/c1-4-27(2,3)23-10-14-25(15-11-23)30-21-19-28-24-12-16-26(17-13-24)29-20-18-22-8-6-5-7-9-22/h10-17,22,28H,4-9,18-21H2,1-3H3

Composition: C (79.17%), H (9.60%), N (3.42%), O (7.81%)

Molar Mass: 409.614

Atom Count: 69

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	409.2980795
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HBBOLMGENLEDON-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	126.96
Topological Polar Surface Area	30.49
Polarizability	49.28
Ring Count	3
Rotatable Bond Count	11

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