1-N,2-diethyl-3-methylbenzene-1,4-diamine

C11H18N2 — CID 19599042

IUPAC1-N,2-diethyl-3-methylbenzene-1,4-diamine
SMILESCCNc1ccc(N)c(C)c1CC
InChIInChI=1S/C11H18N2/c1-4-9-8(3)10(12)6-7-11(9)13-5-2/h6-7,13H,4-5,12H2,1-3H3
InChIKeyVGNDDKPQHOPQFK-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.57
Rot. Bonds3

About 1-N,2-diethyl-3-methylbenzene-1,4-diamine

1-N,2-diethyl-3-methylbenzene-1,4-diamine (PubChem CID 19599042) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-N,2-diethyl-3-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,2-diethyl-3-methylbenzene-1,4-diamine
PubChem CID19599042
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-N,2-diethyl-3-methylbenzene-1,4-diamine
SMILESCCNc1ccc(N)c(C)c1CC
InChIInChI=1S/C11H18N2/c1-4-9-8(3)10(12)6-7-11(9)13-5-2/h6-7,13H,4-5,12H2,1-3H3
InChIKeyVGNDDKPQHOPQFK-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.57
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-ethyl-2,4-dimethylaniline
CID 20714339
3-amino-6-(ethylamino)benzene-1,2-diol
CID 174526526
4-(4-aminophenyl)-N,2,3-triethylaniline
CID 154138427
2-methyl-3,4-dipropylaniline
CID 70515438
4-bromo-1-N-ethylbenzene-1,2-diamine
CID 11816737
(2,4-diethyl-3-methylphenyl)hydrazine
CID 174532713
N,4-diethyl-2,2-difluoro-1,3-benzodioxol-5-amine
CID 167259987
2-ethyl-3-(ethylamino)benzenesulfonic acid
CID 54128758
4-(aminomethyl)-1-N-ethylbenzene-1,2-diamine
CID 82502920
1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine
CID 87788373
2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine
CID 21415685
1-N-ethyl-2-methoxybenzene-1,4-diamine
CID 23391843

Frequently Asked Questions

What is the IUPAC name of 1-N,2-diethyl-3-methylbenzene-1,4-diamine?
The IUPAC name of 1-N,2-diethyl-3-methylbenzene-1,4-diamine (CID 19599042) is 1-N,2-diethyl-3-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,2-diethyl-3-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N,2-diethyl-3-methylbenzene-1,4-diamine is CCNc1ccc(N)c(C)c1CC.
What is the InChIKey of 1-N,2-diethyl-3-methylbenzene-1,4-diamine?
The InChIKey is VGNDDKPQHOPQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9-8(3)10(12)6-7-11(9)13-5-2/h6-7,13H,4-5,12H2,1-3H3.
What are the key properties of 1-N,2-diethyl-3-methylbenzene-1,4-diamine?
1-N,2-diethyl-3-methylbenzene-1,4-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-diethyl-3-methylbenzene-1,4-diamine is sourced from PubChem (CID 19599042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).