N-[2-(4-tert-butylphenoxy)propyl]-4-chloroaniline

N-[2-(4-tert-butylphenoxy)propyl]-4-chloroaniline

CAS: 1040684-30-7

Formula: C19H24ClNO

SMILES: CC(CNC1=CC=C(Cl)C=C1)OC1=CC=C(C=C1)C(C)(C)C

IUPAC: N-[2-(4-tert-butylphenoxy)propyl]-4-chloroaniline

InChI: InChI=1/C19H24ClNO/c1-14(13-21-17-9-7-16(20)8-10-17)22-18-11-5-15(6-12-18)19(2,3)4/h5-12,14,21H,13H2,1-4H3

Composition: C (71.80%), H (7.61%), Cl (11.15%), N (4.41%), O (5.03%)

Molar Mass: 317.86

Atom Count: 46

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	317.1546421
Formal Charge	0
FSP3	0.37
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RXORGURDTMUWKK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	94.69
Topological Polar Surface Area	21.26
Polarizability	36.41
Ring Count	2
Rotatable Bond Count	6

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