3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine

C12H14N2O — CID 61469743

IUPAC3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine
SMILESNc1cccc(NCCc2ccco2)c1
InChIInChI=1S/C12H14N2O/c13-10-3-1-4-11(9-10)14-7-6-12-5-2-8-15-12/h1-5,8-9,14H,6-7,13H2
InChIKeyYOMHZBRYUQSAOJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.52
Rot. Bonds4

About 3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine

3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine (PubChem CID 61469743) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine
PubChem CID61469743
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine
SMILESNc1cccc(NCCc2ccco2)c1
InChIInChI=1S/C12H14N2O/c13-10-3-1-4-11(9-10)14-7-6-12-5-2-8-15-12/h1-5,8-9,14H,6-7,13H2
InChIKeyYOMHZBRYUQSAOJ-UHFFFAOYSA-N
XLogP2.52
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-[2-(furan-2-yl)ethyl]benzene-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

5-N-[2-(furan-2-yl)ethyl]pyridine-3,5-diamine
CID 104533462
3-N-[2-(furan-2-yl)ethyl]-5-nitrobenzene-1,3-diamine
CID 80804045
1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 61469783
3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine
CID 12040476
3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline
CID 83962080
2-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55083762
N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 83960475
4-bromo-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
CID 61469654
3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
CID 104834271
4-[2-(furan-2-yl)ethylamino]benzonitrile
CID 60701833
5-N-[2-(furan-2-yl)ethyl]-3-N-propylpyridine-3,5-diamine
CID 104533461
(E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide
CID 115342852

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine (CID 61469743) is 3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine is Nc1cccc(NCCc2ccco2)c1.
What is the InChIKey of 3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine?
The InChIKey is YOMHZBRYUQSAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-10-3-1-4-11(9-10)14-7-6-12-5-2-8-15-12/h1-5,8-9,14H,6-7,13H2.
What are the key properties of 3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine?
3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine has a molecular weight of 202.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 61469743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).