4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline

C16H19NO2 — CID 39359260

IUPAC4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline
SMILESCOc1ccc(OC)c(Cc2ccc(N)c(C)c2)c1
InChIInChI=1S/C16H19NO2/c1-11-8-12(4-6-15(11)17)9-13-10-14(18-2)5-7-16(13)19-3/h4-8,10H,9,17H2,1-3H3
InChIKeyITOCHRISWSRJKJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.19
Rot. Bonds4

About 4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline

4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline (PubChem CID 39359260) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline
PubChem CID39359260
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline
SMILESCOc1ccc(OC)c(Cc2ccc(N)c(C)c2)c1
InChIInChI=1S/C16H19NO2/c1-11-8-12(4-6-15(11)17)9-13-10-14(18-2)5-7-16(13)19-3/h4-8,10H,9,17H2,1-3H3
InChIKeyITOCHRISWSRJKJ-UHFFFAOYSA-N
XLogP3.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
CID 82044512
[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine
CID 116926180
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
CID 155059275
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
5-[(2,5-dimethoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)furan-2-carboxamide
CID 21045991
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
4-[(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116925979
4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 105489347
1-methoxy-3-[(4-methoxy-3-methylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]benzene
CID 146175274
4-methoxy-2-(pyridin-4-ylmethyl)aniline
CID 105467827
bis[4-methoxy-3-[(4-methoxyphenyl)methyl]phenyl]iodanium bromide
CID 19990827

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline (CID 39359260) is 4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline is COc1ccc(OC)c(Cc2ccc(N)c(C)c2)c1.
What is the InChIKey of 4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline?
The InChIKey is ITOCHRISWSRJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-8-12(4-6-15(11)17)9-13-10-14(18-2)5-7-16(13)19-3/h4-8,10H,9,17H2,1-3H3.
What are the key properties of 4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline?
4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline has a molecular weight of 257.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 39359260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).