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

C11H16ClN — CID 104932386

IUPAC(2S)-1-(2-chlorophenyl)pentan-2-amine
SMILESCCC[C@H](N)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClN/c1-2-5-10(13)8-9-6-3-4-7-11(9)12/h3-4,6-7,10H,2,5,8,13H2,1H3/t10-/m0/s1
InChIKeySIQAISQIIQIJRU-JTQLQIEISA-N
MW197.71 g/mol
LogP3.01
Rot. Bonds4

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

(2S)-1-(2-chlorophenyl)pentan-2-amine (PubChem CID 104932386) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is (2S)-1-(2-chlorophenyl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-chlorophenyl)pentan-2-amine
PubChem CID104932386
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name(2S)-1-(2-chlorophenyl)pentan-2-amine
SMILESCCC[C@H](N)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClN/c1-2-5-10(13)8-9-6-3-4-7-11(9)12/h3-4,6-7,10H,2,5,8,13H2,1H3/t10-/m0/s1
InChIKeySIQAISQIIQIJRU-JTQLQIEISA-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-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine
CID 65017932
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride
CID 21388934
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
1-chloro-2-(2-chlorohexyl)benzene
CID 63519497
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
1-(2-chlorophenyl)-4-(2-nitrophenyl)butan-2-amine
CID 65017978
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chlorophenyl)pentan-2-amine?
The IUPAC name of (2S)-1-(2-chlorophenyl)pentan-2-amine (CID 104932386) is (2S)-1-(2-chlorophenyl)pentan-2-amine.
What is the SMILES notation for (2S)-1-(2-chlorophenyl)pentan-2-amine?
The canonical SMILES for (2S)-1-(2-chlorophenyl)pentan-2-amine is CCC[C@H](N)Cc1ccccc1Cl.
What is the InChIKey of (2S)-1-(2-chlorophenyl)pentan-2-amine?
The InChIKey is SIQAISQIIQIJRU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16ClN/c1-2-5-10(13)8-9-6-3-4-7-11(9)12/h3-4,6-7,10H,2,5,8,13H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2-chlorophenyl)pentan-2-amine?
(2S)-1-(2-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 (2S)-1-(2-chlorophenyl)pentan-2-amine is sourced from PubChem (CID 104932386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).