3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol

C12H17F2NO — CID 143474045

IUPAC3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
SMILESCCN(Cc1ccccc1)CC(F)(F)CO
InChIInChI=1S/C12H17F2NO/c1-2-15(9-12(13,14)10-16)8-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3
InChIKeyJAKMTJMPXQHSLX-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.14
Rot. Bonds6

About 3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol

3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol (PubChem CID 143474045) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
PubChem CID143474045
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
SMILESCCN(Cc1ccccc1)CC(F)(F)CO
InChIInChI=1S/C12H17F2NO/c1-2-15(9-12(13,14)10-16)8-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3
InChIKeyJAKMTJMPXQHSLX-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076
1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
CID 65266664
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366107
N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine
CID 122491448
1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine
CID 60852613
benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate
CID 132938956
2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol
CID 116695191
1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 131049038
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol (CID 143474045) is 3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol is CCN(Cc1ccccc1)CC(F)(F)CO.
What is the InChIKey of 3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is JAKMTJMPXQHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-2-15(9-12(13,14)10-16)8-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol?
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 143474045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).