2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine

C12H19ClN2O — CID 117039891

IUPAC2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1cc(C)c(N(C)C(C)CN)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-8-5-12(16-4)10(13)6-11(8)15(3)9(2)7-14/h5-6,9H,7,14H2,1-4H3
InChIKeySSTVGBJVQOWTNJ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.44
Rot. Bonds4

About 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine

2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 117039891) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID117039891
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1cc(C)c(N(C)C(C)CN)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-8-5-12(16-4)10(13)6-11(8)15(3)9(2)7-14/h5-6,9H,7,14H2,1-4H3
InChIKeySSTVGBJVQOWTNJ-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine 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-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 82021046
2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 117039940
2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039901
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine
CID 117040233
N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine
CID 115226674
3-N-(5-chloro-2-methoxy-4-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119542
2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138015
1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196394
2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039909
1-(5-chloro-4-methoxy-2-methylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948716
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine (CID 117039891) is 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine is COc1cc(C)c(N(C)C(C)CN)cc1Cl.
What is the InChIKey of 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is SSTVGBJVQOWTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8-5-12(16-4)10(13)6-11(8)15(3)9(2)7-14/h5-6,9H,7,14H2,1-4H3.
What are the key properties of 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine?
2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117039891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).