1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol

C11H15ClFNO — CID 62333927

IUPAC1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-8(15)6-14(2)7-9-10(12)4-3-5-11(9)13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyLHJXXARXJHTLFQ-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.29
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol

1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol (PubChem CID 62333927) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
PubChem CID62333927
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-8(15)6-14(2)7-9-10(12)4-3-5-11(9)13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyLHJXXARXJHTLFQ-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

(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
CID 2090777
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 18224684
1-[(2-chloro-6-nitrophenyl)methyl-methylamino]propan-2-ol
CID 55241491
2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 63388129
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 9197045
1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 71854314
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide
CID 55680016
3-[(2,6-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007398
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol (CID 62333927) is 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol?
The InChIKey is LHJXXARXJHTLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-8(15)6-14(2)7-9-10(12)4-3-5-11(9)13/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol?
1-[(2-chloro-6-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-6-fluorophenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62333927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).