1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine

C15H18N2O — CID 62912994

IUPAC1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(C)cc1Nc1ccc(C)c(N)c1
InChIInChI=1S/C15H18N2O/c1-10-4-7-15(18-3)14(8-10)17-12-6-5-11(2)13(16)9-12/h4-9,17H,16H2,1-3H3
InChIKeyVFBTVCQUYMDPHK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.64
Rot. Bonds3

About 1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine

1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine (PubChem CID 62912994) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
PubChem CID62912994
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(C)cc1Nc1ccc(C)c(N)c1
InChIInChI=1S/C15H18N2O/c1-10-4-7-15(18-3)14(8-10)17-12-6-5-11(2)13(16)9-12/h4-9,17H,16H2,1-3H3
InChIKeyVFBTVCQUYMDPHK-UHFFFAOYSA-N
XLogP3.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.64
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-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62912318
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate
CID 61306349
N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline
CID 117027386
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
CID 101202824
3-N-(3,4-dimethylphenyl)-5-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963417

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine (CID 62912994) is 1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine is COc1ccc(C)cc1Nc1ccc(C)c(N)c1.
What is the InChIKey of 1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine?
The InChIKey is VFBTVCQUYMDPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-4-7-15(18-3)14(8-10)17-12-6-5-11(2)13(16)9-12/h4-9,17H,16H2,1-3H3.
What are the key properties of 1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine?
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 62912994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).