1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol

C11H15ClFNO — CID 66039362

IUPAC1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol
SMILESCNCC(C)(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO/c1-11(15,7-14-2)6-8-3-4-9(13)5-10(8)12/h3-5,14-15H,6-7H2,1-2H3
InChIKeyWFSTZEGASJOTQC-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.99
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol

1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol (PubChem CID 66039362) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol
PubChem CID66039362
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol
SMILESCNCC(C)(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO/c1-11(15,7-14-2)6-8-3-4-9(13)5-10(8)12/h3-5,14-15H,6-7H2,1-2H3
InChIKeyWFSTZEGASJOTQC-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62725874
1-(2-chloro-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037305
1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832677
1-(2-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 65146783
2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 63508129
1-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-2-ol
CID 65145046
4-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001200
1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146594
5-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-one
CID 64715292
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66039611
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
1-(2-chloro-4-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol
CID 114910605

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol (CID 66039362) is 1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol is CNCC(C)(O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol?
The InChIKey is WFSTZEGASJOTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-11(15,7-14-2)6-8-3-4-9(13)5-10(8)12/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol?
1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol has a molecular weight of 231.70 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol is sourced from PubChem (CID 66039362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).