2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine

C14H18N2O — CID 113333708

IUPAC2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
SMILESCCN(Cc1ccco1)c1c(C)cccc1N
InChIInChI=1S/C14H18N2O/c1-3-16(10-12-7-5-9-17-12)14-11(2)6-4-8-13(14)15/h4-9H,3,10,15H2,1-2H3
InChIKeyJTWRPVJWJLYKNT-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.20
Rot. Bonds4

About 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine

2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine (PubChem CID 113333708) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
PubChem CID113333708
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
SMILESCCN(Cc1ccco1)c1c(C)cccc1N
InChIInChI=1S/C14H18N2O/c1-3-16(10-12-7-5-9-17-12)14-11(2)6-4-8-13(14)15/h4-9H,3,10,15H2,1-2H3
InChIKeyJTWRPVJWJLYKNT-UHFFFAOYSA-N
XLogP3.20
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 115550226
2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 115550334
3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
CID 115549884
2-(aminomethyl)-N-(furan-2-ylmethyl)-N,6-dimethylaniline
CID 107105514
3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587735
3-(2-amino-N-ethyl-6-methylanilino)propanenitrile
CID 115550305
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 114043650
4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 104711640
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
CID 107106481
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine (CID 113333708) is 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine is CCN(Cc1ccco1)c1c(C)cccc1N.
What is the InChIKey of 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine?
The InChIKey is JTWRPVJWJLYKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-16(10-12-7-5-9-17-12)14-11(2)6-4-8-13(14)15/h4-9H,3,10,15H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine?
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 113333708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).