N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine

C18H24N2 — CID 2140104

IUPACN,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCNc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C18H24N2/c1-13-5-7-17(15(3)11-13)19-9-10-20-18-8-6-14(2)12-16(18)4/h5-8,11-12,19-20H,9-10H2,1-4H3
InChIKeyWOKBSWYORQQGMG-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.44
Rot. Bonds5

About N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine

N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine (PubChem CID 2140104) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine
PubChem CID2140104
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCNc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C18H24N2/c1-13-5-7-17(15(3)11-13)19-9-10-20-18-8-6-14(2)12-16(18)4/h5-8,11-12,19-20H,9-10H2,1-4H3
InChIKeyWOKBSWYORQQGMG-UHFFFAOYSA-N
XLogP4.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 2995
Desipramine Hydrochloride
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6-Methyl-1,2,3,4-tetrahydroquinoline
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4,4'-Dioctyldiphenylamine
CID 7569
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N,N'-Di-o-tolylethylenediamine
CID 66759
N-Phenyl-p-toluidine
CID 12109
Benzylaniline
CID 66028
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
Denatonium
CID 15488
Phenbenzamine
CID 13751

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine (CID 2140104) is N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine is Cc1ccc(NCCNc2ccc(C)cc2C)c(C)c1.
What is the InChIKey of N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is WOKBSWYORQQGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-5-7-17(15(3)11-13)19-9-10-20-18-8-6-14(2)12-16(18)4/h5-8,11-12,19-20H,9-10H2,1-4H3.
What are the key properties of N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine?
N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 2140104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).