1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine

C14H24N2O — CID 115196463

IUPAC1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1cc(C)c(N(C)CC(C)N)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-9-7-13(17-6)11(3)12(4)14(9)16(5)8-10(2)15/h7,10H,8,15H2,1-6H3
InChIKeyHDSLUWFHNYQGOD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.40
Rot. Bonds4

About 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine

1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 115196463) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID115196463
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1cc(C)c(N(C)CC(C)N)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-9-7-13(17-6)11(3)12(4)14(9)16(5)8-10(2)15/h7,10H,8,15H2,1-6H3
InChIKeyHDSLUWFHNYQGOD-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-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-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372
2-N-(4-methoxy-2,3,6-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131845
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196412
1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196394
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196458
2-amino-3-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylpropanamide
CID 115179793
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one
CID 115236416
5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine
CID 83939352
1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196603

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine (CID 115196463) is 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine is COc1cc(C)c(N(C)CC(C)N)c(C)c1C.
What is the InChIKey of 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is HDSLUWFHNYQGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-7-13(17-6)11(3)12(4)14(9)16(5)8-10(2)15/h7,10H,8,15H2,1-6H3.
What are the key properties of 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine?
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 115196463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).