2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline

C23H25NO — CID 126128637

IUPAC2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
SMILESCc1ccc(COc2ccccc2CNc2cc(C)ccc2C)cc1
InChIInChI=1S/C23H25NO/c1-17-9-12-20(13-10-17)16-25-23-7-5-4-6-21(23)15-24-22-14-18(2)8-11-19(22)3/h4-14,24H,15-16H2,1-3H3
InChIKeyXWAOFKQKNLABLQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.80
Rot. Bonds6

About 2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline

2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126128637) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
PubChem CID126128637
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
SMILESCc1ccc(COc2ccccc2CNc2cc(C)ccc2C)cc1
InChIInChI=1S/C23H25NO/c1-17-9-12-20(13-10-17)16-25-23-7-5-4-6-21(23)15-24-22-14-18(2)8-11-19(22)3/h4-14,24H,15-16H2,1-3H3
InChIKeyXWAOFKQKNLABLQ-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126140521
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 54797123
4-[[2-[(2,4-dimethylanilino)methyl]phenoxy]methyl]benzoic acid
CID 126124769
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126127091
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126123799
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline (CID 126128637) is 2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline is Cc1ccc(COc2ccccc2CNc2cc(C)ccc2C)cc1.
What is the InChIKey of 2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is XWAOFKQKNLABLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-17-9-12-20(13-10-17)16-25-23-7-5-4-6-21(23)15-24-22-14-18(2)8-11-19(22)3/h4-14,24H,15-16H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 331.46 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126128637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).