3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride

C25H30ClNO — CID 50986800

IUPAC3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride
SMILESCCN(Cc1ccccc1)CC(C)C(O)(c1ccccc1)c1ccccc1.[Cl-].[H+]
InChIInChI=1S/C25H29NO.ClH/c1-3-26(20-22-13-7-4-8-14-22)19-21(2)25(27,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-18,21,27H,3,19-20H2,1-2H3;1H
InChIKeyOWJPVCLIRLCQRH-UHFFFAOYSA-N
MW395.97 g/mol
LogP2.20
Rot. Bonds8

About 3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride

3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride (PubChem CID 50986800) has the molecular formula C25H30ClNO and a molecular weight of 395.97 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride
PubChem CID50986800
Molecular FormulaC25H30ClNO
Molecular Weight395.97 g/mol
Exact Mass395.20
IUPAC Name3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride
SMILESCCN(Cc1ccccc1)CC(C)C(O)(c1ccccc1)c1ccccc1.[Cl-].[H+]
InChIInChI=1S/C25H29NO.ClH/c1-3-26(20-22-13-7-4-8-14-22)19-21(2)25(27,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-18,21,27H,3,19-20H2,1-2H3;1H
InChIKeyOWJPVCLIRLCQRH-UHFFFAOYSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.97
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
(2S)-1-N-benzyl-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522054
(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
CID 143474045
N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366107
(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol
CID 124808457

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride?
The IUPAC name of 3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride (CID 50986800) is 3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride?
The canonical SMILES for 3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride is CCN(Cc1ccccc1)CC(C)C(O)(c1ccccc1)c1ccccc1.[Cl-].[H+].
What is the InChIKey of 3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride?
The InChIKey is OWJPVCLIRLCQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO.ClH/c1-3-26(20-22-13-7-4-8-14-22)19-21(2)25(27,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-18,21,27H,3,19-20H2,1-2H3;1H.
What are the key properties of 3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride?
3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride has a molecular weight of 395.97 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride is sourced from PubChem (CID 50986800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).