4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine

C17H22N2 — CID 115126820

IUPAC4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1cc(N)c(NCCc2ccccc2C)cc1C
InChIInChI=1S/C17H22N2/c1-12-6-4-5-7-15(12)8-9-19-17-11-14(3)13(2)10-16(17)18/h4-7,10-11,19H,8-9,18H2,1-3H3
InChIKeyIWWNOTPZDLYIFX-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.85
Rot. Bonds4

About 4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine

4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine (PubChem CID 115126820) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
PubChem CID115126820
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1cc(N)c(NCCc2ccccc2C)cc1C
InChIInChI=1S/C17H22N2/c1-12-6-4-5-7-15(12)8-9-19-17-11-14(3)13(2)10-16(17)18/h4-7,10-11,19H,8-9,18H2,1-3H3
InChIKeyIWWNOTPZDLYIFX-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.85
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-[2-(2-methylphenyl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 79756350
3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 79756339
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543
2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796032
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 106259814
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 114072528
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine (CID 115126820) is 4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine is Cc1cc(N)c(NCCc2ccccc2C)cc1C.
What is the InChIKey of 4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is IWWNOTPZDLYIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-6-4-5-7-15(12)8-9-19-17-11-14(3)13(2)10-16(17)18/h4-7,10-11,19H,8-9,18H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine?
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 115126820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).