N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine

C17H22N2 — CID 54806140

IUPACN'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCNc2c(C)cccc2C)c1
InChIInChI=1S/C17H22N2/c1-13-6-4-9-16(12-13)18-10-11-19-17-14(2)7-5-8-15(17)3/h4-9,12,18-19H,10-11H2,1-3H3
InChIKeyWHIABSKZFBDVGA-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.14
Rot. Bonds5

About N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine

N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 54806140) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID54806140
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCNc2c(C)cccc2C)c1
InChIInChI=1S/C17H22N2/c1-13-6-4-9-16(12-13)18-10-11-19-17-14(2)7-5-8-15(17)3/h4-9,12,18-19H,10-11H2,1-3H3
InChIKeyWHIABSKZFBDVGA-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-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54810103
N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
N'-(2,6-dimethylphenyl)-N-(3-heptoxyphenyl)ethane-1,2-diamine
CID 54809475
N-(2-ethylsulfonylethyl)-3-methylaniline
CID 43807532
2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine
CID 54809643
N-[2-(2-ethoxyethoxy)ethyl]-3-methylaniline
CID 23009144

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine (CID 54806140) is N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(NCCNc2c(C)cccc2C)c1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is WHIABSKZFBDVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-6-4-9-16(12-13)18-10-11-19-17-14(2)7-5-8-15(17)3/h4-9,12,18-19H,10-11H2,1-3H3.
What are the key properties of N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
N'-(2,6-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'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).