2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride

C12H19Cl2N — CID 16757788

IUPAC2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
SMILESCCN(CCCl)Cc1ccccc1C.Cl
InChIInChI=1S/C12H18ClN.ClH/c1-3-14(9-8-13)10-12-7-5-4-6-11(12)2;/h4-7H,3,8-10H2,1-2H3;1H
InChIKeyGAAOKTBHSXYRNH-UHFFFAOYSA-N
MW248.20 g/mol
LogP3.48
Rot. Bonds5

About 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride

2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride (PubChem CID 16757788) has the molecular formula C12H19Cl2N and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
PubChem CID16757788
Molecular FormulaC12H19Cl2N
Molecular Weight248.20 g/mol
Exact Mass247.09
IUPAC Name2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
SMILESCCN(CCCl)Cc1ccccc1C.Cl
InChIInChI=1S/C12H18ClN.ClH/c1-3-14(9-8-13)10-12-7-5-4-6-11(12)2;/h4-7H,3,8-10H2,1-2H3;1H
InChIKeyGAAOKTBHSXYRNH-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride (CID 16757788) is 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride is CCN(CCCl)Cc1ccccc1C.Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is GAAOKTBHSXYRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN.ClH/c1-3-14(9-8-13)10-12-7-5-4-6-11(12)2;/h4-7H,3,8-10H2,1-2H3;1H.
What are the key properties of 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride?
2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 248.20 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 16757788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).