1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine

C14H24N2O — CID 115203598

IUPAC1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine
SMILESCOc1ccc(NCCCC(C)N)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-10(15)6-5-9-16-13-7-8-14(17-4)12(3)11(13)2/h7-8,10,16H,5-6,9,15H2,1-4H3
InChIKeyNMEIIFNGIMUWGJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.85
Rot. Bonds6

About 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine

1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine (PubChem CID 115203598) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine
PubChem CID115203598
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine
SMILESCOc1ccc(NCCCC(C)N)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-10(15)6-5-9-16-13-7-8-14(17-4)12(3)11(13)2/h7-8,10,16H,5-6,9,15H2,1-4H3
InChIKeyNMEIIFNGIMUWGJ-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-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-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine
CID 115203637
4-(4-methoxy-2,3-dimethylanilino)-2,2-dimethylbutanoic acid
CID 115221019
1-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butane-1,3-diamine
CID 115199539
1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine
CID 115203619
N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199816
4-(2,4-dimethoxy-3-methylanilino)butan-1-ol
CID 115217383
1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine
CID 619623
(4R)-1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine
CID 129361785
4-(2,4-dimethoxy-3-methylanilino)-2-methylbutanoic acid
CID 115220535
N-[(4-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115212367
1-N-(2,4-difluorophenyl)pentane-1,4-diamine
CID 115203586
2-methoxy-N-(4-methylpentyl)aniline
CID 83156470

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine (CID 115203598) is 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine is COc1ccc(NCCCC(C)N)c(C)c1C.
What is the InChIKey of 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine?
The InChIKey is NMEIIFNGIMUWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(15)6-5-9-16-13-7-8-14(17-4)12(3)11(13)2/h7-8,10,16H,5-6,9,15H2,1-4H3.
What are the key properties of 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine?
1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine is sourced from PubChem (CID 115203598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).