N-[2-(2-methylphenoxy)butyl]-4-propoxyaniline

N-[2-(2-methylphenoxy)butyl]-4-propoxyaniline

CAS: 1040688-98-9

Formula: C20H27NO2

SMILES: CCCOC1=CC=C(NCC(CC)OC2=C(C)C=CC=C2)C=C1

IUPAC: N-[2-(2-methylphenoxy)butyl]-4-propoxyaniline

InChI: InChI=1/C20H27NO2/c1-4-14-22-19-12-10-17(11-13-19)21-15-18(5-2)23-20-9-7-6-8-16(20)3/h6-13,18,21H,4-5,14-15H2,1-3H3

Composition: C (76.64%), H (8.68%), N (4.47%), O (10.21%)

Molar Mass: 313.441

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	313.204179113
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QIQLVXYOJHTXKZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	96.52
Topological Polar Surface Area	30.49
Polarizability	37.1
Ring Count	2
Rotatable Bond Count	9

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