2-[bis(3,3-diphenylpropyl)amino]ethanol

C32H35NO — CID 12831214

IUPAC2-[bis(3,3-diphenylpropyl)amino]ethanol
SMILESOCCN(CCC(c1ccccc1)c1ccccc1)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H35NO/c34-26-25-33(23-21-31(27-13-5-1-6-14-27)28-15-7-2-8-16-28)24-22-32(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31-32,34H,21-26H2
InChIKeyJKLQYJIWHPVZCE-UHFFFAOYSA-N
MW449.64 g/mol
LogP6.73
Rot. Bonds12

About 2-[bis(3,3-diphenylpropyl)amino]ethanol

2-[bis(3,3-diphenylpropyl)amino]ethanol (PubChem CID 12831214) has the molecular formula C32H35NO and a molecular weight of 449.64 g/mol. Its IUPAC name is 2-[bis(3,3-diphenylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(3,3-diphenylpropyl)amino]ethanol
PubChem CID12831214
Molecular FormulaC32H35NO
Molecular Weight449.64 g/mol
Exact Mass449.27
IUPAC Name2-[bis(3,3-diphenylpropyl)amino]ethanol
SMILESOCCN(CCC(c1ccccc1)c1ccccc1)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H35NO/c34-26-25-33(23-21-31(27-13-5-1-6-14-27)28-15-7-2-8-16-28)24-22-32(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31-32,34H,21-26H2
InChIKeyJKLQYJIWHPVZCE-UHFFFAOYSA-N
XLogP6.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461
2-[methanidyl(1-phenylethyl)amino]ethanol
CID 123296934
N,N-dibutyl-4,4-diphenylbutan-1-amine
CID 3026479
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
2-[2-hydroxyethyl(5-phenylpentyl)amino]ethanol
CID 18933224
2-[benzhydryl(ethyl)amino]ethanol
CID 131843300
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol
CID 91997323
2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride
CID 21117618
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3,3-diphenylpropyl)amino]ethanol?
The IUPAC name of 2-[bis(3,3-diphenylpropyl)amino]ethanol (CID 12831214) is 2-[bis(3,3-diphenylpropyl)amino]ethanol.
What is the SMILES notation for 2-[bis(3,3-diphenylpropyl)amino]ethanol?
The canonical SMILES for 2-[bis(3,3-diphenylpropyl)amino]ethanol is OCCN(CCC(c1ccccc1)c1ccccc1)CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[bis(3,3-diphenylpropyl)amino]ethanol?
The InChIKey is JKLQYJIWHPVZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO/c34-26-25-33(23-21-31(27-13-5-1-6-14-27)28-15-7-2-8-16-28)24-22-32(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31-32,34H,21-26H2.
What are the key properties of 2-[bis(3,3-diphenylpropyl)amino]ethanol?
2-[bis(3,3-diphenylpropyl)amino]ethanol has a molecular weight of 449.64 g/mol, XLogP of 6.73, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3,3-diphenylpropyl)amino]ethanol is sourced from PubChem (CID 12831214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).