2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol

C11H15ClFNO — CID 75355894

IUPAC2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-11(2,7-15)14-6-8-3-4-10(13)9(12)5-8/h3-5,14-15H,6-7H2,1-2H3
InChIKeyZNUZPQZIIISSRH-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.34
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol

2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 75355894) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol
PubChem CID75355894
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-11(2,7-15)14-6-8-3-4-10(13)9(12)5-8/h3-5,14-15H,6-7H2,1-2H3
InChIKeyZNUZPQZIIISSRH-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

2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131945
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 81145012
3-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469040
1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
CID 82649708
2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 63050676
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutanamide
CID 99828862
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzene-1,2-diol
CID 28724969
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81143930
N-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentan-2-amine
CID 115621691
(2S)-2-[(3-chloro-4-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 81145636

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol (CID 75355894) is 2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is ZNUZPQZIIISSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-11(2,7-15)14-6-8-3-4-10(13)9(12)5-8/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol?
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-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 2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 75355894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).