N-[2-(2-tert-butylphenoxy)ethyl]-3-(oxolan-2-ylmethoxy)aniline

N-[2-(2-tert-butylphenoxy)ethyl]-3-(oxolan-2-ylmethoxy)aniline

CAS: 1040681-78-4

Formula: C23H31NO3

SMILES: CC(C)(C)C1=C(OCCNC2=CC(OCC3CCCO3)=CC=C2)C=CC=C1

IUPAC: N-[2-(2-tert-butylphenoxy)ethyl]-3-[(oxolan-2-yl)methoxy]aniline

InChI: InChI=1/C23H31NO3/c1-23(2,3)21-11-4-5-12-22(21)26-15-13-24-18-8-6-9-19(16-18)27-17-20-10-7-14-25-20/h4-6,8-9,11-12,16,20,24H,7,10,13-15,17H2,1-3H3

Composition: C (74.76%), H (8.46%), N (3.79%), O (12.99%)

Molar Mass: 369.505

Atom Count: 58

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	369.230393862
Formal Charge	0
FSP3	0.48
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CIMRMUMNSIUBPM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.19
Topological Polar Surface Area	39.72
Polarizability	42.57
Ring Count	3
Rotatable Bond Count	9

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