N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine

C12H17ClFN — CID 102615547

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFN/c1-12(2,3)8-15-7-9-6-10(14)4-5-11(9)13/h4-6,15H,7-8H2,1-3H3
InChIKeyVTOJWKUFORHYOS-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.61
Rot. Bonds3

About N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine

N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 102615547) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID102615547
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFN/c1-12(2,3)8-15-7-9-6-10(14)4-5-11(9)13/h4-6,15H,7-8H2,1-3H3
InChIKeyVTOJWKUFORHYOS-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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-methyl-2-methylsulfanylpropan-1-amine
CID 102615967
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001
3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106175909
N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106291281
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
N-[(2-chloro-5-fluorophenyl)methyl]prop-2-yn-1-amine
CID 102615324
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250
2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol
CID 102609433
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 115626035
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
CID 102615984

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine (CID 102615547) is N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCc1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is VTOJWKUFORHYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-12(2,3)8-15-7-9-6-10(14)4-5-11(9)13/h4-6,15H,7-8H2,1-3H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 229.73 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 102615547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).