2,5-dimethyl-N-phenylmethoxyaniline

C15H17NO — CID 88670805

IUPAC2,5-dimethyl-N-phenylmethoxyaniline
SMILESCc1ccc(C)c(NOCc2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-12-8-9-13(2)15(10-12)16-17-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyYIQSQIKDMSXXGC-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.85
Rot. Bonds4

About 2,5-dimethyl-N-phenylmethoxyaniline

2,5-dimethyl-N-phenylmethoxyaniline (PubChem CID 88670805) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-phenylmethoxyaniline.

Molecular Properties

Compound Name2,5-dimethyl-N-phenylmethoxyaniline
PubChem CID88670805
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2,5-dimethyl-N-phenylmethoxyaniline
SMILESCc1ccc(C)c(NOCc2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-12-8-9-13(2)15(10-12)16-17-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyYIQSQIKDMSXXGC-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
2-(2,5-dimethylphenyl)-N-phenylmethoxyacetamide
CID 63102778
2,5-dimethyl-N-(4-phenylbutyl)aniline
CID 114333158
2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128637
2,4-dimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681319
N-chloro-4-methyl-2-phenylmethoxyaniline
CID 87749280
benzyl N-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 23822673
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide
CID 32577082
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240128
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-phenylmethoxyaniline?
The IUPAC name of 2,5-dimethyl-N-phenylmethoxyaniline (CID 88670805) is 2,5-dimethyl-N-phenylmethoxyaniline.
What is the SMILES notation for 2,5-dimethyl-N-phenylmethoxyaniline?
The canonical SMILES for 2,5-dimethyl-N-phenylmethoxyaniline is Cc1ccc(C)c(NOCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-phenylmethoxyaniline?
The InChIKey is YIQSQIKDMSXXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-8-9-13(2)15(10-12)16-17-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-phenylmethoxyaniline?
2,5-dimethyl-N-phenylmethoxyaniline has a molecular weight of 227.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-phenylmethoxyaniline is sourced from PubChem (CID 88670805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).