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

C11H15F2NO — CID 146267203

IUPAC2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol
SMILESCN(Cc1ccccc1)C(CO)C(F)F
InChIInChI=1S/C11H15F2NO/c1-14(10(8-15)11(12)13)7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3
InChIKeyOPJYATGHWAALLJ-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.74
Rot. Bonds5

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

2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol (PubChem CID 146267203) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol
PubChem CID146267203
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol
SMILESCN(Cc1ccccc1)C(CO)C(F)F
InChIInChI=1S/C11H15F2NO/c1-14(10(8-15)11(12)13)7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3
InChIKeyOPJYATGHWAALLJ-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[benzyl(methyl)amino]-3,3-difluoropropyl] formate
CID 146267247
methyl (2R)-2-[benzyl(methyl)amino]-3-hydroxypropanoate
CID 121010319
(2R)-2-[benzyl(methyl)amino]-3-hydroxypropanamide
CID 14621674
N-benzyl-N-methylbutan-2-amine
CID 15496809
3-methyl-2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]butan-1-ol
CID 115137587
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
3-[benzyl(methyl)amino]-2-methylbutan-2-ol
CID 130666424
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
N'-benzyl-N'-methyl-1-phenylmethanediamine
CID 118464289
3-[benzyl(methyl)amino]-3-thiophen-2-ylpropane-1,2-diol
CID 20656181

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol?
The IUPAC name of 2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol (CID 146267203) is 2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol.
What is the SMILES notation for 2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol?
The canonical SMILES for 2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol is CN(Cc1ccccc1)C(CO)C(F)F.
What is the InChIKey of 2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol?
The InChIKey is OPJYATGHWAALLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-14(10(8-15)11(12)13)7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol?
2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol is sourced from PubChem (CID 146267203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).