4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine

C15H18N2 — CID 43436308

IUPAC4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
SMILESCCc1ccc(Nc2ccc(N)c(C)c2)cc1
InChIInChI=1S/C15H18N2/c1-3-12-4-6-13(7-5-12)17-14-8-9-15(16)11(2)10-14/h4-10,17H,3,16H2,1-2H3
InChIKeyOXFSXNOCTURQQP-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.88
Rot. Bonds3

About 4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine

4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine (PubChem CID 43436308) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
PubChem CID43436308
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
SMILESCCc1ccc(Nc2ccc(N)c(C)c2)cc1
InChIInChI=1S/C15H18N2/c1-3-12-4-6-13(7-5-12)17-14-8-9-15(16)11(2)10-14/h4-10,17H,3,16H2,1-2H3
InChIKeyOXFSXNOCTURQQP-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.88
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

4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine
CID 43436257
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
2-methyl-4-N-(4-methylsulfanylphenyl)benzene-1,4-diamine
CID 43436265
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
1-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165590
4-(4-ethylphenoxy)-2-methylaniline
CID 26190351
4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43436245
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027222
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
methyl 2-amino-5-(4-propylanilino)benzoate
CID 63425762
2-bromo-4-(4-ethylanilino)benzonitrile
CID 107275838

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine (CID 43436308) is 4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine is CCc1ccc(Nc2ccc(N)c(C)c2)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is OXFSXNOCTURQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-12-4-6-13(7-5-12)17-14-8-9-15(16)11(2)10-14/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine?
4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43436308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).