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

C12H14N2O — CID 43535637

IUPAC3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
SMILESCC(Nc1cccc(N)c1)c1ccco1
InChIInChI=1S/C12H14N2O/c1-9(12-6-3-7-15-12)14-11-5-2-4-10(13)8-11/h2-9,14H,13H2,1H3
InChIKeyDFDQQDLCTDUTQP-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.03
Rot. Bonds3

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

3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine (PubChem CID 43535637) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
PubChem CID43535637
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
SMILESCC(Nc1cccc(N)c1)c1ccco1
InChIInChI=1S/C12H14N2O/c1-9(12-6-3-7-15-12)14-11-5-2-4-10(13)8-11/h2-9,14H,13H2,1H3
InChIKeyDFDQQDLCTDUTQP-UHFFFAOYSA-N
XLogP3.03
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline
CID 43191048
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365
N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 54863773
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
CID 43688829
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
CID 43725755
N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43692009
2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid
CID 60989949
5-N-[1-(furan-2-yl)ethyl]pyridine-2,5-diamine
CID 43535641
2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide
CID 79466885
3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 43524021
3-N-[1-(4-bromophenyl)ethyl]benzene-1,3-diamine
CID 54965501
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methoxyacetamide
CID 43713201

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine (CID 43535637) is 3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine is CC(Nc1cccc(N)c1)c1ccco1.
What is the InChIKey of 3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine?
The InChIKey is DFDQQDLCTDUTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(12-6-3-7-15-12)14-11-5-2-4-10(13)8-11/h2-9,14H,13H2,1H3.
What are the key properties of 3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine?
3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine has a molecular weight of 202.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 43535637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).