1-(4-chlorophenyl)pentan-2-amine

C11H16ClN — CID 60820343

IUPAC1-(4-chlorophenyl)pentan-2-amine
SMILESCCCC(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4-7,11H,2-3,8,13H2,1H3
InChIKeyONIQSFWQLXZVBY-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.01
Rot. Bonds4

About 1-(4-chlorophenyl)pentan-2-amine

1-(4-chlorophenyl)pentan-2-amine (PubChem CID 60820343) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)pentan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)pentan-2-amine
PubChem CID60820343
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(4-chlorophenyl)pentan-2-amine
SMILESCCCC(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4-7,11H,2-3,8,13H2,1H3
InChIKeyONIQSFWQLXZVBY-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
1-(4-chlorophenyl)-4-ethoxybutan-2-amine
CID 61077786
1-(4-iodophenyl)pentan-2-amine
CID 65478921
(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340
1-(4-chlorophenyl)propan-2-amine
CID 3127
(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 67153399
1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 63527017
1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine
CID 116627770
3-[(4-chlorophenyl)methyl]hexan-1-ol
CID 143267872
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)pentan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)pentan-2-amine (CID 60820343) is 1-(4-chlorophenyl)pentan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)pentan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)pentan-2-amine is CCCC(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)pentan-2-amine?
The InChIKey is ONIQSFWQLXZVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4-7,11H,2-3,8,13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)pentan-2-amine?
1-(4-chlorophenyl)pentan-2-amine has a molecular weight of 197.71 g/mol, XLogP of 3.01, 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-2-amine is sourced from PubChem (CID 60820343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).