2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol

C11H15ClFNO — CID 114455038

IUPAC2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-2-7(6-14)11(15)8-3-9(12)5-10(13)4-8/h3-5,7,11,15H,2,6,14H2,1H3
InChIKeyLHUVTGDCEBXOSG-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.50
Rot. Bonds4

About 2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol

2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol (PubChem CID 114455038) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol
PubChem CID114455038
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-2-7(6-14)11(15)8-3-9(12)5-10(13)4-8/h3-5,7,11,15H,2,6,14H2,1H3
InChIKeyLHUVTGDCEBXOSG-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

(1S,2R)-1-amino-1-(3-chloro-5-fluorophenyl)-3-methylpentan-2-ol
CID 171268040
2-(aminomethyl)-1-(2,4-difluorophenyl)butan-1-ol
CID 65187853
4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol
CID 114455000
2-[(3-chloro-5-fluorophenyl)-hydroxymethyl]pentanoic acid
CID 114454680
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
[1-(aminomethyl)-4-ethylcyclohexyl]-(3-chloro-5-fluorophenyl)methanol
CID 114455039
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride
CID 171262344
1-(3-chloro-5-fluorophenyl)-3-methylbutan-1-ol
CID 114454018
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
ethyl (3S)-3-amino-3-(3-chloro-5-fluorophenyl)-2-fluoropropanoate
CID 171247936
methyl 2-[(3-chloro-5-fluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 114454668

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol (CID 114455038) is 2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol is CCC(CN)C(O)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol?
The InChIKey is LHUVTGDCEBXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-7(6-14)11(15)8-3-9(12)5-10(13)4-8/h3-5,7,11,15H,2,6,14H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol?
2-(aminomethyl)-1-(3-chloro-5-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-5-fluorophenyl)butan-1-ol is sourced from PubChem (CID 114455038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).