2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine

C14H14Cl2N2 — CID 106889893

IUPAC2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine
SMILESCCc1ccc(Nc2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2/c1-2-9-3-5-11(6-4-9)18-14-12(15)7-10(17)8-13(14)16/h3-8,18H,2,17H2,1H3
InChIKeyHNFAPFPRAPAXEK-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.88
Rot. Bonds3

About 2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine

2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine (PubChem CID 106889893) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine
PubChem CID106889893
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine
SMILESCCc1ccc(Nc2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2/c1-2-9-3-5-11(6-4-9)18-14-12(15)7-10(17)8-13(14)16/h3-8,18H,2,17H2,1H3
InChIKeyHNFAPFPRAPAXEK-UHFFFAOYSA-N
XLogP4.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.88
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

2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 106890306
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine
CID 106889883
4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43436308
1-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165590
3-amino-5-(4-ethylanilino)benzenesulfonamide
CID 60987876
2,6-dichloro-4-methyl-N-(4-methylphenyl)aniline
CID 11369120
N-(4-ethylphenyl)anthracen-9-amine
CID 71380230
5-amino-3-(4-ethylanilino)-2-methylbenzenesulfonamide
CID 79899521
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027222
1-N-[4-[3-[4-(4-amino-2-chloroanilino)phenyl]propyl]phenyl]-2-chlorobenzene-1,4-diamine
CID 90006139
2,6-dichloro-1-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzene-1,4-diamine
CID 106889855

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine (CID 106889893) is 2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine is CCc1ccc(Nc2c(Cl)cc(N)cc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine?
The InChIKey is HNFAPFPRAPAXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-2-9-3-5-11(6-4-9)18-14-12(15)7-10(17)8-13(14)16/h3-8,18H,2,17H2,1H3.
What are the key properties of 2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine?
2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine has a molecular weight of 281.19 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 106889893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).