1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride

C10H14Cl3N — CID 162376791

IUPAC1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
SMILESCc1ccc(CC(N)CCl)c(Cl)c1.Cl
InChIInChI=1S/C10H13Cl2N.ClH/c1-7-2-3-8(10(12)4-7)5-9(13)6-11;/h2-4,9H,5-6,13H2,1H3;1H
InChIKeyQBUABEGUBJSYLE-UHFFFAOYSA-N
MW254.59 g/mol
LogP3.18
Rot. Bonds3

About 1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride

1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride (PubChem CID 162376791) has the molecular formula C10H14Cl3N and a molecular weight of 254.59 g/mol. Its IUPAC name is 1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
PubChem CID162376791
Molecular FormulaC10H14Cl3N
Molecular Weight254.59 g/mol
Exact Mass253.02
IUPAC Name1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
SMILESCc1ccc(CC(N)CCl)c(Cl)c1.Cl
InChIInChI=1S/C10H13Cl2N.ClH/c1-7-2-3-8(10(12)4-7)5-9(13)6-11;/h2-4,9H,5-6,13H2,1H3;1H
InChIKeyQBUABEGUBJSYLE-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
CID 106867926
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine
CID 106867617
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316
2-chloro-1-[2-(chloromethyl)-4-methylpentyl]-4-methylbenzene
CID 106870652
2-(chloromethyl)-3-(2-chloro-4-methylphenyl)propanenitrile
CID 106869774
1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine
CID 106866285

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride (CID 162376791) is 1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride is Cc1ccc(CC(N)CCl)c(Cl)c1.Cl.
What is the InChIKey of 1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride?
The InChIKey is QBUABEGUBJSYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N.ClH/c1-7-2-3-8(10(12)4-7)5-9(13)6-11;/h2-4,9H,5-6,13H2,1H3;1H.
What are the key properties of 1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride?
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride has a molecular weight of 254.59 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 162376791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).