1-(3-chloro-4-fluorophenyl)pentan-2-amine

C11H15ClFN — CID 103039784

IUPAC1-(3-chloro-4-fluorophenyl)pentan-2-amine
SMILESCCCC(N)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-2-3-9(14)6-8-4-5-11(13)10(12)7-8/h4-5,7,9H,2-3,6,14H2,1H3
InChIKeyJTHQVBSLUPIUSN-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.15
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)pentan-2-amine

1-(3-chloro-4-fluorophenyl)pentan-2-amine (PubChem CID 103039784) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)pentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)pentan-2-amine
PubChem CID103039784
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name1-(3-chloro-4-fluorophenyl)pentan-2-amine
SMILESCCCC(N)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-2-3-9(14)6-8-4-5-11(13)10(12)7-8/h4-5,7,9H,2-3,6,14H2,1H3
InChIKeyJTHQVBSLUPIUSN-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-(4-chlorophenyl)pentan-2-amine
CID 60820343
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
CID 103039854
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
CID 103039883
1-(3-chloro-4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 103042919
1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
CID 103044391
1-(3-chloro-4-fluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103043410
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 103043039
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)pentan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)pentan-2-amine (CID 103039784) is 1-(3-chloro-4-fluorophenyl)pentan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)pentan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)pentan-2-amine is CCCC(N)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)pentan-2-amine?
The InChIKey is JTHQVBSLUPIUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-2-3-9(14)6-8-4-5-11(13)10(12)7-8/h4-5,7,9H,2-3,6,14H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)pentan-2-amine?
1-(3-chloro-4-fluorophenyl)pentan-2-amine has a molecular weight of 215.70 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)pentan-2-amine is sourced from PubChem (CID 103039784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).