2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine

C14H18N2O — CID 91671898

IUPAC2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine
SMILESCCc1cc(NCc2ccco2)cc(C)c1N
InChIInChI=1S/C14H18N2O/c1-3-11-8-12(7-10(2)14(11)15)16-9-13-5-4-6-17-13/h4-8,16H,3,9,15H2,1-2H3
InChIKeyPYWAFHAZHHSGKL-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.34
Rot. Bonds4

About 2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine

2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine (PubChem CID 91671898) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine
PubChem CID91671898
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine
SMILESCCc1cc(NCc2ccco2)cc(C)c1N
InChIInChI=1S/C14H18N2O/c1-3-11-8-12(7-10(2)14(11)15)16-9-13-5-4-6-17-13/h4-8,16H,3,9,15H2,1-2H3
InChIKeyPYWAFHAZHHSGKL-UHFFFAOYSA-N
XLogP3.34
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
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

4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
CID 91672017
N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline
CID 61059640
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771
2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 80646286
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250110
1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one
CID 122234636
N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231539
N'-(2-ethyl-6-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809826
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine?
The IUPAC name of 2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine (CID 91671898) is 2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine?
The canonical SMILES for 2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine is CCc1cc(NCc2ccco2)cc(C)c1N.
What is the InChIKey of 2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine?
The InChIKey is PYWAFHAZHHSGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-11-8-12(7-10(2)14(11)15)16-9-13-5-4-6-17-13/h4-8,16H,3,9,15H2,1-2H3.
What are the key properties of 2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine?
2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine has a molecular weight of 230.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine is sourced from PubChem (CID 91671898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).