1-{tert-butyl[(4-methylphenyl)methyl]amino}-3-(1H-indol-4-yloxy)propan-2-ol

1-{tert-butyl[(4-methylphenyl)methyl]amino}-3-(1H-indol-4-yloxy)propan-2-ol

CAS: 2095432-55-4

Formula: C23H30N2O2

SMILES: CC1=CC=C(CN(CC(O)COC2=C3C=CNC3=CC=C2)C(C)(C)C)C=C1

IUPAC: 1-{tert-butyl[(4-methylphenyl)methyl]amino}-3-(1H-indol-4-yloxy)propan-2-ol

InChI: InChI=1/C23H30N2O2/c1-17-8-10-18(11-9-17)14-25(23(2,3)4)15-19(26)16-27-22-7-5-6-21-20(22)12-13-24-21/h5-13,19,24,26H,14-16H2,1-4H3

Composition: C (75.37%), H (8.25%), N (7.64%), O (8.73%)

Molar Mass: 366.505

Atom Count: 57

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	366.230728214
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BNRANURXPKRRKP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.05
Topological Polar Surface Area	48.49
Polarizability	44.52
Ring Count	3
Rotatable Bond Count	8

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