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

C11H15ClFNO — CID 102848138

IUPAC2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-8(7-15)14(2)6-9-4-3-5-10(12)11(9)13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyWXXHIOXADQGTKY-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.29
Rot. Bonds4

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

2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol (PubChem CID 102848138) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol
PubChem CID102848138
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-8(7-15)14(2)6-9-4-3-5-10(12)11(9)13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyWXXHIOXADQGTKY-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(3-chloro-2-fluorophenyl)methyl-methylamino]ethyl]aniline
CID 102856240
2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
CID 115877304
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107113377
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 114987154
3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline
CID 107347223
1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine
CID 107310059
3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 115695888
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910008
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 106993926

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol (CID 102848138) is 2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol is CC(CO)N(C)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol?
The InChIKey is WXXHIOXADQGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-8(7-15)14(2)6-9-4-3-5-10(12)11(9)13/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol?
2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol has a molecular weight of 231.70 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 102848138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).