N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine

C17H22N2 — CID 54806214

IUPACN-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCNc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H22N2/c1-13-5-4-6-16(11-13)18-9-10-19-17-8-7-14(2)15(3)12-17/h4-8,11-12,18-19H,9-10H2,1-3H3
InChIKeyUXVPWSZRHCQLTQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.14
Rot. Bonds5

About N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine

N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 54806214) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID54806214
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCNc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H22N2/c1-13-5-4-6-16(11-13)18-9-10-19-17-8-7-14(2)15(3)12-17/h4-8,11-12,18-19H,9-10H2,1-3H3
InChIKeyUXVPWSZRHCQLTQ-UHFFFAOYSA-N
XLogP4.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.14
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

N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 54806140
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095952
N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
N-(2-ethylsulfonylethyl)-3-methylaniline
CID 43807532
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
N-(4-hexoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806257
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine (CID 54806214) is N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(NCCNc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is UXVPWSZRHCQLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-5-4-6-16(11-13)18-9-10-19-17-8-7-14(2)15(3)12-17/h4-8,11-12,18-19H,9-10H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).