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

C11H15ClFNO — CID 112652111

IUPAC1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1cccc(F)c1Cl
InChIInChI=1S/C11H15ClFNO/c1-11(2,15)7-14-6-8-4-3-5-9(13)10(8)12/h3-5,14-15H,6-7H2,1-2H3
InChIKeyJAWORTVTVQSRID-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.34
Rot. Bonds4

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

1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol (PubChem CID 112652111) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol
PubChem CID112652111
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1cccc(F)c1Cl
InChIInChI=1S/C11H15ClFNO/c1-11(2,15)7-14-6-8-4-3-5-9(13)10(8)12/h3-5,14-15H,6-7H2,1-2H3
InChIKeyJAWORTVTVQSRID-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252455
1-[(2,6-difluorophenyl)methylamino]-2-methylpropan-2-ol
CID 63933107
1-(2-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112652213
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 112654826
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
3-[(2-chloro-3-fluorophenyl)methylamino]propanoic acid
CID 112652700
tert-butyl N-[(2-chloro-3-fluorophenyl)methyl]carbamate
CID 137347631
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine
CID 112652223
1-[(2-bromophenyl)methylamino]-2-methylpropan-2-ol
CID 61401916
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol (CID 112652111) is 1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol is CC(C)(O)CNCc1cccc(F)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol?
The InChIKey is JAWORTVTVQSRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-11(2,15)7-14-6-8-4-3-5-9(13)10(8)12/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol?
1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol has a molecular weight of 231.70 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 112652111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).