1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine

C13H19ClFN — CID 62946027

IUPAC1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C13H19ClFN/c1-9(2)4-7-13(16-3)11-6-5-10(15)8-12(11)14/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyALUUODVDVPXWCY-UHFFFAOYSA-N
MW243.75 g/mol
LogP4.18
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine

1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine (PubChem CID 62946027) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine
PubChem CID62946027
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C13H19ClFN/c1-9(2)4-7-13(16-3)11-6-5-10(15)8-12(11)14/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyALUUODVDVPXWCY-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-chloro-4-fluorophenyl)-4-methylpentyl]hydrazine
CID 105215256
1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 55152422
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63420064
1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine
CID 113319435
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63420241
1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 63419888
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447132

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine (CID 62946027) is 1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine?
The InChIKey is ALUUODVDVPXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-9(2)4-7-13(16-3)11-6-5-10(15)8-12(11)14/h5-6,8-9,13,16H,4,7H2,1-3H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine?
1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine has a molecular weight of 243.75 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 62946027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).