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

C13H16N2O — CID 115550104

IUPAC2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC(C)c1ccco1
InChIInChI=1S/C13H16N2O/c1-9-5-3-6-11(14)13(9)15-10(2)12-7-4-8-16-12/h3-8,10,15H,14H2,1-2H3
InChIKeySLFVYUSKLPLBOS-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.34
Rot. Bonds3

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

2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine (PubChem CID 115550104) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine
PubChem CID115550104
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC(C)c1ccco1
InChIInChI=1S/C13H16N2O/c1-9-5-3-6-11(14)13(9)15-10(2)12-7-4-8-16-12/h3-8,10,15H,14H2,1-2H3
InChIKeySLFVYUSKLPLBOS-UHFFFAOYSA-N
XLogP3.34
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.34
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

3-methyl-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 113333687
2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550261
3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 113333720
2-N-tert-butyl-3-methylbenzene-1,2-diamine
CID 70363393
2-(2-amino-6-methylanilino)propane-1,3-diol
CID 115550630
(2S)-2-(2-amino-6-methylanilino)-3-methylbutan-1-ol
CID 115550688
5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554339
2-N-[1-(furan-2-yl)ethyl]-6-methoxypyridine-2,5-diamine
CID 43535632
4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 65467932
5-N-[1-(furan-2-yl)ethyl]pyridine-2,5-diamine
CID 43535641
2-hydrazinyl-3-methylaniline
CID 118990747

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine (CID 115550104) is 2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1NC(C)c1ccco1.
What is the InChIKey of 2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine?
The InChIKey is SLFVYUSKLPLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-3-6-11(14)13(9)15-10(2)12-7-4-8-16-12/h3-8,10,15H,14H2,1-2H3.
What are the key properties of 2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine?
2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine has a molecular weight of 216.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).