1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol

C11H15ClFNO — CID 107883693

IUPAC1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol
SMILESCCC(O)(CN)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO/c1-2-11(15,7-14)6-8-3-4-9(12)10(13)5-8/h3-5,15H,2,6-7,14H2,1H3
InChIKeyAFIHHMSEWGVRMR-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.12
Rot. Bonds4

About 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol

1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol (PubChem CID 107883693) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol.

Molecular Properties

Compound Name1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol
PubChem CID107883693
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol
SMILESCCC(O)(CN)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO/c1-2-11(15,7-14)6-8-3-4-9(12)10(13)5-8/h3-5,15H,2,6-7,14H2,1H3
InChIKeyAFIHHMSEWGVRMR-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

Analyze 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-fluorophenyl)-3-ethylpentane-2,3-diol
CID 114012679
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentanoic acid
CID 107883005
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylbutanenitrile
CID 107898493
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133
1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylpentan-2-one
CID 107884147
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
2-[(4-chloro-3-methylphenyl)methyl]-2-fluorobutan-1-amine
CID 165484448
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 114013897
3-(4-chloro-3-fluorophenyl)pentan-3-ol
CID 91656809
(4-chloro-3-fluorophenyl)methylazanium
CID 7015596

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol?
The IUPAC name of 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol (CID 107883693) is 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol.
What is the SMILES notation for 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol?
The canonical SMILES for 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol is CCC(O)(CN)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol?
The InChIKey is AFIHHMSEWGVRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-11(15,7-14)6-8-3-4-9(12)10(13)5-8/h3-5,15H,2,6-7,14H2,1H3.
What are the key properties of 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol?
1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-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 1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol is sourced from PubChem (CID 107883693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).