2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol

C11H15ClFNO — CID 81262394

IUPAC2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-2-7(6-14)11(15)8-4-3-5-9(12)10(8)13/h3-5,7,11,15H,2,6,14H2,1H3
InChIKeyUMFOZANRJTXIKZ-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.50
Rot. Bonds4

About 2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol

2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol (PubChem CID 81262394) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
PubChem CID81262394
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-2-7(6-14)11(15)8-4-3-5-9(12)10(8)13/h3-5,7,11,15H,2,6,14H2,1H3
InChIKeyUMFOZANRJTXIKZ-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
CID 65188015
2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol
CID 65188119
ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate
CID 114488235
3-chloro-1-(3-chloro-2-fluorophenyl)propane-1,2-diol
CID 171861609
2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol
CID 107955051
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
2-(aminomethyl)-1-(2-chloro-4-methylphenyl)butan-1-ol
CID 106864336
2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine
CID 114489137
2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol
CID 65187721
3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 81262776
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 82808604

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol (CID 81262394) is 2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol is CCC(CN)C(O)c1cccc(Cl)c1F.
What is the InChIKey of 2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol?
The InChIKey is UMFOZANRJTXIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-7(6-14)11(15)8-4-3-5-9(12)10(8)13/h3-5,7,11,15H,2,6,14H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol?
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol has a molecular weight of 231.70 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol is sourced from PubChem (CID 81262394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).