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

C14H16N2O — CID 43436240

IUPAC4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N)c(C)c2)cc1
InChIInChI=1S/C14H16N2O/c1-10-9-12(5-8-14(10)15)16-11-3-6-13(17-2)7-4-11/h3-9,16H,15H2,1-2H3
InChIKeyWAUOVSHTUUAZDX-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.33
Rot. Bonds3

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

4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine (PubChem CID 43436240) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
PubChem CID43436240
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N)c(C)c2)cc1
InChIInChI=1S/C14H16N2O/c1-10-9-12(5-8-14(10)15)16-11-3-6-13(17-2)7-4-11/h3-9,16H,15H2,1-2H3
InChIKeyWAUOVSHTUUAZDX-UHFFFAOYSA-N
XLogP3.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine
CID 43436257
4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43436308
2-methyl-4-N-(4-methylsulfanylphenyl)benzene-1,4-diamine
CID 43436265
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43436245
2-N-(3-iodo-4-methylphenyl)-4-methoxybenzene-1,2-diamine
CID 114257091
2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine
CID 19828299
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine (CID 43436240) is 4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine is COc1ccc(Nc2ccc(N)c(C)c2)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is WAUOVSHTUUAZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-9-12(5-8-14(10)15)16-11-3-6-13(17-2)7-4-11/h3-9,16H,15H2,1-2H3.
What are the key properties of 4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine?
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine has a molecular weight of 228.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43436240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).