2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol

C12H17F2NO — CID 106508343

IUPAC2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol
SMILESCCC(CN)(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-2-12(7-15,8-16)6-9-3-10(13)5-11(14)4-9/h3-5,16H,2,6-8,15H2,1H3
InChIKeyYACKFUZEHWJSKL-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.85
Rot. Bonds5

About 2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol

2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol (PubChem CID 106508343) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol
PubChem CID106508343
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol
SMILESCCC(CN)(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-2-12(7-15,8-16)6-9-3-10(13)5-11(14)4-9/h3-5,16H,2,6-8,15H2,1H3
InChIKeyYACKFUZEHWJSKL-UHFFFAOYSA-N
XLogP1.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-5-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 79708939
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 105408136
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol
CID 105410774
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
CID 106508285
3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 83808870
2-(aminomethyl)-2-ethylpropane-1,3-diol
CID 22736429
N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 105408247
2-[(3,4-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 82929509
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol
CID 106508317
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508330

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol (CID 106508343) is 2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol is CCC(CN)(CO)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol?
The InChIKey is YACKFUZEHWJSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-2-12(7-15,8-16)6-9-3-10(13)5-11(14)4-9/h3-5,16H,2,6-8,15H2,1H3.
What are the key properties of 2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol?
2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol is sourced from PubChem (CID 106508343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).