2-N-ethyl-4-methylbenzene-1,2-diamine

C9H14N2 — CID 11159404

IUPAC2-N-ethyl-4-methylbenzene-1,2-diamine
SMILESCCNc1cc(C)ccc1N
InChIInChI=1S/C9H14N2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,11H,3,10H2,1-2H3
InChIKeyCOQPFZAJYBPIQD-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds2

About 2-N-ethyl-4-methylbenzene-1,2-diamine

2-N-ethyl-4-methylbenzene-1,2-diamine (PubChem CID 11159404) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-N-ethyl-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-methylbenzene-1,2-diamine
PubChem CID11159404
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-N-ethyl-4-methylbenzene-1,2-diamine
SMILESCCNc1cc(C)ccc1N
InChIInChI=1S/C9H14N2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,11H,3,10H2,1-2H3
InChIKeyCOQPFZAJYBPIQD-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Diaminotoluene
CID 10332
1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
Epicept NP-1
CID 5276854
4,4'-Methylenebis(N-methylaniline)
CID 15735
2,N-Dimethylaniline
CID 69137
TFMPP hydrochloride
CID 3084246

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-4-methylbenzene-1,2-diamine (CID 11159404) is 2-N-ethyl-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4-methylbenzene-1,2-diamine is CCNc1cc(C)ccc1N.
What is the InChIKey of 2-N-ethyl-4-methylbenzene-1,2-diamine?
The InChIKey is COQPFZAJYBPIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,11H,3,10H2,1-2H3.
What are the key properties of 2-N-ethyl-4-methylbenzene-1,2-diamine?
2-N-ethyl-4-methylbenzene-1,2-diamine has a molecular weight of 150.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 11159404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).