3-(4-methoxy-3-methylphenyl)-4-methylaniline

C15H17NO — CID 55202323

IUPAC3-(4-methoxy-3-methylphenyl)-4-methylaniline
SMILESCOc1ccc(-c2cc(N)ccc2C)cc1C
InChIInChI=1S/C15H17NO/c1-10-4-6-13(16)9-14(10)12-5-7-15(17-3)11(2)8-12/h4-9H,16H2,1-3H3
InChIKeyRZRMQWRUTMJQNQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.56
Rot. Bonds2

About 3-(4-methoxy-3-methylphenyl)-4-methylaniline

3-(4-methoxy-3-methylphenyl)-4-methylaniline (PubChem CID 55202323) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-4-methylaniline.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-4-methylaniline
PubChem CID55202323
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(4-methoxy-3-methylphenyl)-4-methylaniline
SMILESCOc1ccc(-c2cc(N)ccc2C)cc1C
InChIInChI=1S/C15H17NO/c1-10-4-6-13(16)9-14(10)12-5-7-15(17-3)11(2)8-12/h4-9H,16H2,1-3H3
InChIKeyRZRMQWRUTMJQNQ-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-methylaniline
CID 39232128
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397
4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol
CID 174720753
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline
CID 66719002
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
ethane;methane;3-methoxy-4-methylaniline
CID 144516222

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-4-methylaniline?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-4-methylaniline (CID 55202323) is 3-(4-methoxy-3-methylphenyl)-4-methylaniline.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-4-methylaniline?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-4-methylaniline is COc1ccc(-c2cc(N)ccc2C)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-4-methylaniline?
The InChIKey is RZRMQWRUTMJQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-4-6-13(16)9-14(10)12-5-7-15(17-3)11(2)8-12/h4-9H,16H2,1-3H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-4-methylaniline?
3-(4-methoxy-3-methylphenyl)-4-methylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-4-methylaniline is sourced from PubChem (CID 55202323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).