2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride

C12H21ClN2 — CID 174695946

IUPAC2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCCc1cc(NC)c(CC)c(C)c1N.Cl
InChIInChI=1S/C12H20N2.ClH/c1-5-9-7-11(14-4)10(6-2)8(3)12(9)13;/h7,14H,5-6,13H2,1-4H3;1H
InChIKeyMSEGHZPOIQEDAR-UHFFFAOYSA-N
MW228.77 g/mol
LogP3.17
Rot. Bonds3

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

2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride (PubChem CID 174695946) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is 2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride
PubChem CID174695946
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC Name2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCCc1cc(NC)c(CC)c(C)c1N.Cl
InChIInChI=1S/C12H20N2.ClH/c1-5-9-7-11(14-4)10(6-2)8(3)12(9)13;/h7,14H,5-6,13H2,1-4H3;1H
InChIKeyMSEGHZPOIQEDAR-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 53.17
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

1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine
CID 87459767
4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
CID 174838412
3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride
CID 87710202
2-ethyl-N,4,5-trimethylaniline
CID 143600818
2,4-diamino-3,5-diethylbenzenethiol
CID 150249754
3-ethyl-5-methoxy-2-methylaniline
CID 131487769
(2,4-diethyl-3-methylphenyl)hydrazine
CID 174532713
3,4-diethyl-6-methylbenzene-1,2-diamine
CID 3018588
2,6-diethylbenzene-1,4-diamine
CID 10154207
4-ethyl-2-N-methyl-5-nitrobenzene-1,2-diamine
CID 54117826
[4-amino-3,5-diethyl-2-(methylaminomethyl)phenyl]phosphonic acid;hydrochloride
CID 118092907
2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol
CID 59194641

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride?
The IUPAC name of 2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride (CID 174695946) is 2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride?
The canonical SMILES for 2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride is CCc1cc(NC)c(CC)c(C)c1N.Cl.
What is the InChIKey of 2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride?
The InChIKey is MSEGHZPOIQEDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.ClH/c1-5-9-7-11(14-4)10(6-2)8(3)12(9)13;/h7,14H,5-6,13H2,1-4H3;1H.
What are the key properties of 2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride?
2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride has a molecular weight of 228.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 174695946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).