2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine

C11H17ClN2O — CID 82021046

IUPAC2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1ccc(N(C)C(C)CN)cc1Cl
InChIInChI=1S/C11H17ClN2O/c1-8(7-13)14(2)9-4-5-11(15-3)10(12)6-9/h4-6,8H,7,13H2,1-3H3
InChIKeyCIMIOELVCVWJCQ-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.13
Rot. Bonds4

About 2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine

2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 82021046) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID82021046
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1ccc(N(C)C(C)CN)cc1Cl
InChIInChI=1S/C11H17ClN2O/c1-8(7-13)14(2)9-4-5-11(15-3)10(12)6-9/h4-6,8H,7,13H2,1-3H3
InChIKeyCIMIOELVCVWJCQ-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.13
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-(3-chloro-4-methoxyphenyl)-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

N-(3-chloro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202409
2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039891
2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55263892
2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138007
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658716
2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 117039940
2-N-[2-amino-1-(3-chloro-4-methoxyphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188224
2-N-methyl-2-N-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
CID 117039921
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 65021962
2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039909

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine (CID 82021046) is 2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine is COc1ccc(N(C)C(C)CN)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is CIMIOELVCVWJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(7-13)14(2)9-4-5-11(15-3)10(12)6-9/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 228.72 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 82021046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).