2-(chloromethyl)-6-ethylaniline;hydrochloride

C9H13Cl2N — CID 13350301

IUPAC2-(chloromethyl)-6-ethylaniline;hydrochloride
SMILESCCc1cccc(CCl)c1N.Cl
InChIInChI=1S/C9H12ClN.ClH/c1-2-7-4-3-5-8(6-10)9(7)11;/h3-5H,2,6,11H2,1H3;1H
InChIKeyGIDUJCUABAOAPZ-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.99
Rot. Bonds2

About 2-(chloromethyl)-6-ethylaniline;hydrochloride

2-(chloromethyl)-6-ethylaniline;hydrochloride (PubChem CID 13350301) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-(chloromethyl)-6-ethylaniline;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-6-ethylaniline;hydrochloride
PubChem CID13350301
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name2-(chloromethyl)-6-ethylaniline;hydrochloride
SMILESCCc1cccc(CCl)c1N.Cl
InChIInChI=1S/C9H12ClN.ClH/c1-2-7-4-3-5-8(6-10)9(7)11;/h3-5H,2,6,11H2,1H3;1H
InChIKeyGIDUJCUABAOAPZ-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-ethylaniline;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2,6-bis(chloromethyl)aniline
CID 23281525
2,6-diethylaniline;propane
CID 174429495
2,6-diethylaniline;iron(2+)
CID 175873065
1-(chloromethyl)-2-ethylbenzene
CID 524243
[2-(chloromethyl)-6-ethylphenyl]hydrazine
CID 131028347
2-ethyl-6-prop-2-enylaniline
CID 11975891
2-amino-3-(chloromethyl)benzenesulfonamide
CID 21483537
2-(chloromethyl)-N,N,6-triethylaniline
CID 139534724
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
3-ethyl-2-methylaniline
CID 19879636

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-ethylaniline;hydrochloride?
The IUPAC name of 2-(chloromethyl)-6-ethylaniline;hydrochloride (CID 13350301) is 2-(chloromethyl)-6-ethylaniline;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-6-ethylaniline;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-6-ethylaniline;hydrochloride is CCc1cccc(CCl)c1N.Cl.
What is the InChIKey of 2-(chloromethyl)-6-ethylaniline;hydrochloride?
The InChIKey is GIDUJCUABAOAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN.ClH/c1-2-7-4-3-5-8(6-10)9(7)11;/h3-5H,2,6,11H2,1H3;1H.
What are the key properties of 2-(chloromethyl)-6-ethylaniline;hydrochloride?
2-(chloromethyl)-6-ethylaniline;hydrochloride has a molecular weight of 206.12 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-ethylaniline;hydrochloride is sourced from PubChem (CID 13350301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).