1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol

C11H15ClFNO — CID 102609429

IUPAC1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-8(15)6-14(2)7-9-5-10(13)3-4-11(9)12/h3-5,8,15H,6-7H2,1-2H3
InChIKeyUHQBARKGJJQTOG-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.29
Rot. Bonds4

About 1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol

1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol (PubChem CID 102609429) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol
PubChem CID102609429
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-8(15)6-14(2)7-9-5-10(13)3-4-11(9)12/h3-5,8,15H,6-7H2,1-2H3
InChIKeyUHQBARKGJJQTOG-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

1-[(5-amino-2-chlorophenyl)methyl-methylamino]propan-2-ol
CID 62333630
3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 102620239
3-[(2-chloro-5-fluorophenyl)methyl-methylamino]propanoic acid
CID 102616813
4-[(2-chloro-4-fluorophenyl)methyl-methylamino]butan-2-ol
CID 115665893
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766
1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
CID 102623136
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606
4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
CID 117039211
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
3-[(2,5-difluorophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 55148841

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol (CID 102609429) is 1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol?
The InChIKey is UHQBARKGJJQTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-8(15)6-14(2)7-9-5-10(13)3-4-11(9)12/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol?
1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-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 1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 102609429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).