(1S)-1-(2-chlorophenyl)butan-1-amine

C10H14ClN — CID 55278025

IUPAC(1S)-1-(2-chlorophenyl)butan-1-amine
SMILESCCC[C@H](N)c1ccccc1Cl
InChIInChI=1S/C10H14ClN/c1-2-5-10(12)8-6-3-4-7-9(8)11/h3-4,6-7,10H,2,5,12H2,1H3/t10-/m0/s1
InChIKeyKRMVPJTVBHKRGM-JTQLQIEISA-N
MW183.68 g/mol
LogP3.14
Rot. Bonds3

About (1S)-1-(2-chlorophenyl)butan-1-amine

(1S)-1-(2-chlorophenyl)butan-1-amine (PubChem CID 55278025) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)butan-1-amine
PubChem CID55278025
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name(1S)-1-(2-chlorophenyl)butan-1-amine
SMILESCCC[C@H](N)c1ccccc1Cl
InChIInChI=1S/C10H14ClN/c1-2-5-10(12)8-6-3-4-7-9(8)11/h3-4,6-7,10H,2,5,12H2,1H3/t10-/m0/s1
InChIKeyKRMVPJTVBHKRGM-JTQLQIEISA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
(1R)-1-(2-propan-2-ylphenyl)butan-1-amine
CID 55278414
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
1-chloro-2-(1-chlorobutyl)benzene
CID 18417584
1-(2-chlorophenyl)-3-phenylpropan-1-amine
CID 54014885
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
1-(2-chlorophenyl)butane-1-thiol
CID 57287441
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
1-(2-chlorophenyl)butylhydrazine
CID 105202004
(1S)-1-(2-chlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171231678

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)butan-1-amine?
The IUPAC name of (1S)-1-(2-chlorophenyl)butan-1-amine (CID 55278025) is (1S)-1-(2-chlorophenyl)butan-1-amine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)butan-1-amine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)butan-1-amine is CCC[C@H](N)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)butan-1-amine?
The InChIKey is KRMVPJTVBHKRGM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14ClN/c1-2-5-10(12)8-6-3-4-7-9(8)11/h3-4,6-7,10H,2,5,12H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)butan-1-amine?
(1S)-1-(2-chlorophenyl)butan-1-amine has a molecular weight of 183.68 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)butan-1-amine is sourced from PubChem (CID 55278025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).