N-[2-(4-tert-butylphenoxy)propyl]-3-(heptyloxy)aniline

N-[2-(4-tert-butylphenoxy)propyl]-3-(heptyloxy)aniline

CAS: 1040680-39-4

Formula: C26H39NO2

SMILES: CCCCCCCOC1=CC=CC(NCC(C)OC2=CC=C(C=C2)C(C)(C)C)=C1

IUPAC: N-[2-(4-tert-butylphenoxy)propyl]-3-(heptyloxy)aniline

InChI: InChI=1/C26H39NO2/c1-6-7-8-9-10-18-28-25-13-11-12-23(19-25)27-20-21(2)29-24-16-14-22(15-17-24)26(3,4)5/h11-17,19,21,27H,6-10,18,20H2,1-5H3

Composition: C (78.54%), H (9.89%), N (3.52%), O (8.05%)

Molar Mass: 397.603

Atom Count: 68

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	397.2980795
Formal Charge	0
FSP3	0.54
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YYIFHWLSOGXYDL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	124.03
Topological Polar Surface Area	30.49
Polarizability	48.17
Ring Count	2
Rotatable Bond Count	13

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