1-(4-chlorophenyl)pentan-1-amine

C11H16ClN — CID 21059228

IUPAC1-(4-chlorophenyl)pentan-1-amine
SMILESCCCCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,11H,2-4,13H2,1H3
InChIKeyKXDRTSOIVASYNC-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-chlorophenyl)pentan-1-amine

1-(4-chlorophenyl)pentan-1-amine (PubChem CID 21059228) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)pentan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)pentan-1-amine
PubChem CID21059228
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(4-chlorophenyl)pentan-1-amine
SMILESCCCCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,11H,2-4,13H2,1H3
InChIKeyKXDRTSOIVASYNC-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)pentan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)pentan-1-amine (CID 21059228) is 1-(4-chlorophenyl)pentan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)pentan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)pentan-1-amine is CCCCC(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)pentan-1-amine?
The InChIKey is KXDRTSOIVASYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,11H,2-4,13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)pentan-1-amine?
1-(4-chlorophenyl)pentan-1-amine has a molecular weight of 197.71 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)pentan-1-amine is sourced from PubChem (CID 21059228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).