1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine

C12H17ClFN — CID 105395903

IUPAC1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine
SMILESCCC(CCc1cc(F)ccc1Cl)NC
InChIInChI=1S/C12H17ClFN/c1-3-11(15-2)6-4-9-8-10(14)5-7-12(9)13/h5,7-8,11,15H,3-4,6H2,1-2H3
InChIKeyCCJCRIHDIAGWHS-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.41
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine

1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine (PubChem CID 105395903) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine
PubChem CID105395903
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine
SMILESCCC(CCc1cc(F)ccc1Cl)NC
InChIInChI=1S/C12H17ClFN/c1-3-11(15-2)6-4-9-8-10(14)5-7-12(9)13/h5,7-8,11,15H,3-4,6H2,1-2H3
InChIKeyCCJCRIHDIAGWHS-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
2-(4-bromohexyl)-1-chloro-4-fluorobenzene
CID 102620535
1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
CID 105395959
6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 114860039
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 102618741
N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
CID 102620479
2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 102622705
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
CID 102615984
N-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 102615662
6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 102862081
1-(2-chloro-4-fluorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63419681

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine (CID 105395903) is 1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine is CCC(CCc1cc(F)ccc1Cl)NC.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine?
The InChIKey is CCJCRIHDIAGWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-3-11(15-2)6-4-9-8-10(14)5-7-12(9)13/h5,7-8,11,15H,3-4,6H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine?
1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine has a molecular weight of 229.73 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine is sourced from PubChem (CID 105395903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).