3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine

C14H25N3O — CID 115119990

IUPAC3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine
SMILESCOc1c(C)cc(C)cc1CCNCC(N)CN
InChIInChI=1S/C14H25N3O/c1-10-6-11(2)14(18-3)12(7-10)4-5-17-9-13(16)8-15/h6-7,13,17H,4-5,8-9,15-16H2,1-3H3
InChIKeyZBVJVKQICCYOEX-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.73
Rot. Bonds7

About 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine

3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine (PubChem CID 115119990) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine
PubChem CID115119990
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine
SMILESCOc1c(C)cc(C)cc1CCNCC(N)CN
InChIInChI=1S/C14H25N3O/c1-10-6-11(2)14(18-3)12(7-10)4-5-17-9-13(16)8-15/h6-7,13,17H,4-5,8-9,15-16H2,1-3H3
InChIKeyZBVJVKQICCYOEX-UHFFFAOYSA-N
XLogP0.73
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine 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

3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119991
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
3-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115219557
N-(2-chloroethyl)-2-(2-methoxy-3,5-dimethylphenyl)ethanamine
CID 115215064
2-amino-3-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120568
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202127
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198805
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 98014326
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
CID 115192109
1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189955

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine (CID 115119990) is 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine is COc1c(C)cc(C)cc1CCNCC(N)CN.
What is the InChIKey of 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine?
The InChIKey is ZBVJVKQICCYOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-6-11(2)14(18-3)12(7-10)4-5-17-9-13(16)8-15/h6-7,13,17H,4-5,8-9,15-16H2,1-3H3.
What are the key properties of 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine?
3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine has a molecular weight of 251.37 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine is sourced from PubChem (CID 115119990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).