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

C16H19NO — CID 54865900

IUPAC2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1ccc(C)cc1
InChIInChI=1S/C16H19NO/c1-12-4-7-14(8-5-12)11-17-15-9-6-13(2)10-16(15)18-3/h4-10,17H,11H2,1-3H3
InChIKeySWNVLRDUAXTBGO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.92
Rot. Bonds4

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

2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline (PubChem CID 54865900) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
PubChem CID54865900
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1ccc(C)cc1
InChIInChI=1S/C16H19NO/c1-12-4-7-14(8-5-12)11-17-15-9-6-13(2)10-16(15)18-3/h4-10,17H,11H2,1-3H3
InChIKeySWNVLRDUAXTBGO-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 60931237
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096342
2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 61211307
2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818943

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline (CID 54865900) is 2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline is COc1cc(C)ccc1NCc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is SWNVLRDUAXTBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-4-7-14(8-5-12)11-17-15-9-6-13(2)10-16(15)18-3/h4-10,17H,11H2,1-3H3.
What are the key properties of 2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline?
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 241.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 54865900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).