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

C12H17ClFNO — CID 102615748

IUPAC1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-3-12(2,16)8-15-7-9-6-10(14)4-5-11(9)13/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyFOPJGYRFKRINNH-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.73
Rot. Bonds5

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

1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol (PubChem CID 102615748) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
PubChem CID102615748
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-3-12(2,16)8-15-7-9-6-10(14)4-5-11(9)13/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyFOPJGYRFKRINNH-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103461305
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547
N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 102615967
1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
CID 107528405
3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106175909
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylbutan-2-ol
CID 106862763
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
CID 102615984
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001
1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
CID 63680596
N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106291281
2-chloro-6-[[(2-hydroxy-2-methylbutyl)amino]methyl]phenol
CID 112554014
3-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,2-diol
CID 105371162

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol (CID 102615748) is 1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1cc(F)ccc1Cl.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol?
The InChIKey is FOPJGYRFKRINNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-3-12(2,16)8-15-7-9-6-10(14)4-5-11(9)13/h4-6,15-16H,3,7-8H2,1-2H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol?
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol has a molecular weight of 245.72 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 102615748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).