2-(benzyloxy)-N-[2-(2,4-di-tert-butylphenoxy)ethyl]aniline

2-(benzyloxy)-N-[2-(2,4-di-tert-butylphenoxy)ethyl]aniline

CAS: 1040690-20-7

Formula: C29H37NO2

SMILES: CC(C)(C)C1=CC=C(OCCNC2=C(OCC3=CC=CC=C3)C=CC=C2)C(=C1)C(C)(C)C

IUPAC: 2-(benzyloxy)-N-[2-(2,4-di-tert-butylphenoxy)ethyl]aniline

InChI: InChI=1S/C29H37NO2/c1-28(2,3)23-16-17-26(24(20-23)29(4,5)6)31-19-18-30-25-14-10-11-15-27(25)32-21-22-12-8-7-9-13-22/h7-17,20,30H,18-19,21H2,1-6H3

Composition: C (80.70%), H (8.64%), N (3.25%), O (7.41%)

Molar Mass: 431.62

Atom Count: 69

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	431.282429435
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CQTNPANULKCZOD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	135.21
Topological Polar Surface Area	30.49
Polarizability	52.18
Ring Count	3
Rotatable Bond Count	10

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