4-[(4-methoxy-2-methylphenyl)methyl]aniline

C15H17NO — CID 90158561

IUPAC4-[(4-methoxy-2-methylphenyl)methyl]aniline
SMILESCOc1ccc(Cc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C15H17NO/c1-11-9-15(17-2)8-5-13(11)10-12-3-6-14(16)7-4-12/h3-9H,10,16H2,1-2H3
InChIKeySDFVJDDIZQPTGC-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.18
Rot. Bonds3

About 4-[(4-methoxy-2-methylphenyl)methyl]aniline

4-[(4-methoxy-2-methylphenyl)methyl]aniline (PubChem CID 90158561) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(4-methoxy-2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-methoxy-2-methylphenyl)methyl]aniline
PubChem CID90158561
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[(4-methoxy-2-methylphenyl)methyl]aniline
SMILESCOc1ccc(Cc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C15H17NO/c1-11-9-15(17-2)8-5-13(11)10-12-3-6-14(16)7-4-12/h3-9H,10,16H2,1-2H3
InChIKeySDFVJDDIZQPTGC-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-methylphenyl]methyl]-2-methylphenyl]methyl]phenyl]methyl]aniline
CID 22920657
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-methylphenyl]methyl]phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]aniline
CID 18976911
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
4-[[4-[7-[4-[(4-aminophenyl)methyl]-3-methylphenyl]heptyl]-2-methylphenyl]methyl]aniline
CID 22920157
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
2-benzyl-5-methoxyaniline;ethane
CID 142463807
4-benzyl-3-methylaniline
CID 12846586
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2-methylphenyl)methyl]aniline?
The IUPAC name of 4-[(4-methoxy-2-methylphenyl)methyl]aniline (CID 90158561) is 4-[(4-methoxy-2-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-[(4-methoxy-2-methylphenyl)methyl]aniline?
The canonical SMILES for 4-[(4-methoxy-2-methylphenyl)methyl]aniline is COc1ccc(Cc2ccc(N)cc2)c(C)c1.
What is the InChIKey of 4-[(4-methoxy-2-methylphenyl)methyl]aniline?
The InChIKey is SDFVJDDIZQPTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-9-15(17-2)8-5-13(11)10-12-3-6-14(16)7-4-12/h3-9H,10,16H2,1-2H3.
What are the key properties of 4-[(4-methoxy-2-methylphenyl)methyl]aniline?
4-[(4-methoxy-2-methylphenyl)methyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2-methylphenyl)methyl]aniline is sourced from PubChem (CID 90158561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).