3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride

C10H17ClN2 — CID 87710202

IUPAC3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCCc1c(C)c(N)cc(C)c1N.Cl
InChIInChI=1S/C10H16N2.ClH/c1-4-8-7(3)9(11)5-6(2)10(8)12;/h5H,4,11-12H2,1-3H3;1H
InChIKeyHRHUFQVKFNBYIO-UHFFFAOYSA-N
MW200.71 g/mol
LogP2.45
Rot. Bonds1

About 3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride

3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride (PubChem CID 87710202) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride
PubChem CID87710202
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCCc1c(C)c(N)cc(C)c1N.Cl
InChIInChI=1S/C10H16N2.ClH/c1-4-8-7(3)9(11)5-6(2)10(8)12;/h5H,4,11-12H2,1-3H3;1H
InChIKeyHRHUFQVKFNBYIO-UHFFFAOYSA-N
XLogP2.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride?
The IUPAC name of 3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride (CID 87710202) is 3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride?
The canonical SMILES for 3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride is CCc1c(C)c(N)cc(C)c1N.Cl.
What is the InChIKey of 3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride?
The InChIKey is HRHUFQVKFNBYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.ClH/c1-4-8-7(3)9(11)5-6(2)10(8)12;/h5H,4,11-12H2,1-3H3;1H.
What are the key properties of 3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride?
3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride has a molecular weight of 200.71 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 87710202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).