3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol

C11H15ClFNO — CID 115695888

IUPAC3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-8(7-15)5-14-6-9-3-2-4-10(12)11(9)13/h2-4,8,14-15H,5-7H2,1H3
InChIKeyVPDFQUVJMOXARP-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.20
Rot. Bonds5

About 3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol

3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 115695888) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
PubChem CID115695888
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-8(7-15)5-14-6-9-3-2-4-10(12)11(9)13/h2-4,8,14-15H,5-7H2,1H3
InChIKeyVPDFQUVJMOXARP-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine
CID 115695890
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 114987154
N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115696018
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910008
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
3-[(3-chloro-2-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 103761965
3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol
CID 66419250
5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol
CID 103859612
N-[[1-[(3-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 102861828
1-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 102859822
2-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylbutan-1-ol
CID 102863692
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 102856743

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol (CID 115695888) is 3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol is CC(CO)CNCc1cccc(Cl)c1F.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is VPDFQUVJMOXARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-8(7-15)5-14-6-9-3-2-4-10(12)11(9)13/h2-4,8,14-15H,5-7H2,1H3.
What are the key properties of 3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol?
3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 231.70 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115695888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).