(1R)-1-(2,3-dichlorophenyl)pentan-1-amine

C11H15Cl2N — CID 171204538

IUPAC(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
SMILESCCCC[C@@H](N)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2N/c1-2-3-7-10(14)8-5-4-6-9(12)11(8)13/h4-6,10H,2-3,7,14H2,1H3/t10-/m1/s1
InChIKeyICEZQNUSGPUHFE-SNVBAGLBSA-N
MW232.15 g/mol
LogP4.18
Rot. Bonds4

About (1R)-1-(2,3-dichlorophenyl)pentan-1-amine

(1R)-1-(2,3-dichlorophenyl)pentan-1-amine (PubChem CID 171204538) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is (1R)-1-(2,3-dichlorophenyl)pentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
PubChem CID171204538
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
SMILESCCCC[C@@H](N)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2N/c1-2-3-7-10(14)8-5-4-6-9(12)11(8)13/h4-6,10H,2-3,7,14H2,1H3/t10-/m1/s1
InChIKeyICEZQNUSGPUHFE-SNVBAGLBSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine
CID 65092620
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
1-(2,3-dichlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820999
(1S)-1-(2-chloro-3-fluorophenyl)hexan-1-amine
CID 171222601
2-[(1S)-1-aminohexyl]-6-chlorophenol
CID 171224317
1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158
1-(2,3-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028441
1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 63416558
(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224120
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dichlorophenyl)pentan-1-amine?
The IUPAC name of (1R)-1-(2,3-dichlorophenyl)pentan-1-amine (CID 171204538) is (1R)-1-(2,3-dichlorophenyl)pentan-1-amine.
What is the SMILES notation for (1R)-1-(2,3-dichlorophenyl)pentan-1-amine?
The canonical SMILES for (1R)-1-(2,3-dichlorophenyl)pentan-1-amine is CCCC[C@@H](N)c1cccc(Cl)c1Cl.
What is the InChIKey of (1R)-1-(2,3-dichlorophenyl)pentan-1-amine?
The InChIKey is ICEZQNUSGPUHFE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-2-3-7-10(14)8-5-4-6-9(12)11(8)13/h4-6,10H,2-3,7,14H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2,3-dichlorophenyl)pentan-1-amine?
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine has a molecular weight of 232.15 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dichlorophenyl)pentan-1-amine is sourced from PubChem (CID 171204538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).