3-(3,4-dimethoxyphenyl)-4-methylaniline

C15H17NO2 — CID 39232128

IUPAC3-(3,4-dimethoxyphenyl)-4-methylaniline
SMILESCOc1ccc(-c2cc(N)ccc2C)cc1OC
InChIInChI=1S/C15H17NO2/c1-10-4-6-12(16)9-13(10)11-5-7-14(17-2)15(8-11)18-3/h4-9H,16H2,1-3H3
InChIKeyCBNUEAQEXIMLNC-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.26
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-4-methylaniline

3-(3,4-dimethoxyphenyl)-4-methylaniline (PubChem CID 39232128) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-methylaniline.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-methylaniline
PubChem CID39232128
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(3,4-dimethoxyphenyl)-4-methylaniline
SMILESCOc1ccc(-c2cc(N)ccc2C)cc1OC
InChIInChI=1S/C15H17NO2/c1-10-4-6-12(16)9-13(10)11-5-7-14(17-2)15(8-11)18-3/h4-9H,16H2,1-3H3
InChIKeyCBNUEAQEXIMLNC-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.26
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

3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol
CID 174720753
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1-methylbenzene
CID 94285527
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-methylaniline?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-methylaniline (CID 39232128) is 3-(3,4-dimethoxyphenyl)-4-methylaniline.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-methylaniline?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-methylaniline is COc1ccc(-c2cc(N)ccc2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-methylaniline?
The InChIKey is CBNUEAQEXIMLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-4-6-12(16)9-13(10)11-5-7-14(17-2)15(8-11)18-3/h4-9H,16H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-methylaniline?
3-(3,4-dimethoxyphenyl)-4-methylaniline has a molecular weight of 243.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-methylaniline is sourced from PubChem (CID 39232128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).