1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine

C13H18N2O2 — CID 65381166

IUPAC1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1ccc(OC)cc1OC
InChIInChI=1S/C13H18N2O2/c1-4-7-15-12(9-14)11-6-5-10(16-2)8-13(11)17-3/h1,5-6,8,12,15H,7,9,14H2,2-3H3
InChIKeyNIXCRRMUKGWIEL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.93
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine

1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine (PubChem CID 65381166) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
PubChem CID65381166
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1ccc(OC)cc1OC
InChIInChI=1S/C13H18N2O2/c1-4-7-15-12(9-14)11-6-5-10(16-2)8-13(11)17-3/h1,5-6,8,12,15H,7,9,14H2,2-3H3
InChIKeyNIXCRRMUKGWIEL-UHFFFAOYSA-N
XLogP0.93
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-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

1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380773
1-(2,4-dimethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382605
1-(3-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381566
tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate
CID 24688569
3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
CID 83176320
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173418
1-(2,4-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034068
1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine
CID 105315555
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377102
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 113303693

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine (CID 65381166) is 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine is C#CCNC(CN)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is NIXCRRMUKGWIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-7-15-12(9-14)11-6-5-10(16-2)8-13(11)17-3/h1,5-6,8,12,15H,7,9,14H2,2-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 234.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 65381166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).