4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol

C11H15ClFNO — CID 103041941

IUPAC4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
SMILESCC(O)(CCN)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-11(15,4-5-14)7-8-2-3-10(13)9(12)6-8/h2-3,6,15H,4-5,7,14H2,1H3
InChIKeyXUGXVSHLILCDRA-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.12
Rot. Bonds4

About 4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol

4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol (PubChem CID 103041941) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
PubChem CID103041941
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
SMILESCC(O)(CCN)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-11(15,4-5-14)7-8-2-3-10(13)9(12)6-8/h2-3,6,15H,4-5,7,14H2,1H3
InChIKeyXUGXVSHLILCDRA-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Amino-2-(3-chlorophenyl)propan-1-ol
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3-[(3-Chlorophenyl)methyl]pyrrolidin-3-ol hydrochloride
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3-Amino-2-(3-chlorophenyl)propan-1-ol hydrochloride
CID 119031530
1-(3-Chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine
CID 103036012
1-Amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol
CID 103039138
3-(Aminomethyl)-4-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103041894
3-(Aminomethyl)-4-(3-chloro-4-fluorophenyl)-3-phenylbutan-2-ol
CID 103041910
2-(Aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 103041911
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CID 103041912

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol?
The IUPAC name of 4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol (CID 103041941) is 4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol?
The canonical SMILES for 4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol is CC(O)(CCN)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol?
The InChIKey is XUGXVSHLILCDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-11(15,4-5-14)7-8-2-3-10(13)9(12)6-8/h2-3,6,15H,4-5,7,14H2,1H3.
What are the key properties of 4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol?
4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol has a molecular weight of 231.70 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 103041941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).