3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine

C15H20N2O — CID 55145854

IUPAC3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine
SMILESCc1cc(C(C)Nc2cccc(N)c2C)c(C)o1
InChIInChI=1S/C15H20N2O/c1-9-8-13(12(4)18-9)11(3)17-15-7-5-6-14(16)10(15)2/h5-8,11,17H,16H2,1-4H3
InChIKeyKJZULXAHNYZQST-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.96
Rot. Bonds3

About 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine

3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine (PubChem CID 55145854) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine
PubChem CID55145854
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine
SMILESCc1cc(C(C)Nc2cccc(N)c2C)c(C)o1
InChIInChI=1S/C15H20N2O/c1-9-8-13(12(4)18-9)11(3)17-15-7-5-6-14(16)10(15)2/h5-8,11,17H,16H2,1-4H3
InChIKeyKJZULXAHNYZQST-UHFFFAOYSA-N
XLogP3.96
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-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-[1-(2,5-dimethylfuran-3-yl)ethylamino]-6-fluorobenzenecarbothioamide
CID 79519570
1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590224
3-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(methoxymethyl)aniline
CID 61167356
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline
CID 114256989
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
CID 43121314
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline
CID 43724573
5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 63478098
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
CID 43121263
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine
CID 63587506
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine (CID 55145854) is 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine is Cc1cc(C(C)Nc2cccc(N)c2C)c(C)o1.
What is the InChIKey of 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine?
The InChIKey is KJZULXAHNYZQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-8-13(12(4)18-9)11(3)17-15-7-5-6-14(16)10(15)2/h5-8,11,17H,16H2,1-4H3.
What are the key properties of 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine?
3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 55145854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).