N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline

C17H21NO — CID 29274401

IUPACN-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
SMILESCCOc1ccccc1CNc1ccc(C)cc1C
InChIInChI=1S/C17H21NO/c1-4-19-17-8-6-5-7-15(17)12-18-16-10-9-13(2)11-14(16)3/h5-11,18H,4,12H2,1-3H3
InChIKeyCKMXCSPUHMEXSV-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.31
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline

N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline (PubChem CID 29274401) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
PubChem CID29274401
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
SMILESCCOc1ccccc1CNc1ccc(C)cc1C
InChIInChI=1S/C17H21NO/c1-4-19-17-8-6-5-7-15(17)12-18-16-10-9-13(2)11-14(16)3/h5-11,18H,4,12H2,1-3H3
InChIKeyCKMXCSPUHMEXSV-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
1-(2,4-dimethylphenyl)-3-[(2-ethoxyphenyl)methyl]thiourea
CID 94494107
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 54797123
4-[[2-[(2,4-dimethylanilino)methyl]phenoxy]methyl]benzoic acid
CID 126124769
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
2-[(2-ethoxyanilino)methyl]-4-methylphenol
CID 63323369
2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609
N-[(2-ethoxyphenyl)methyl]-2-iodoaniline
CID 28878592
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120613
2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128637

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline (CID 29274401) is N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline is CCOc1ccccc1CNc1ccc(C)cc1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline?
The InChIKey is CKMXCSPUHMEXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-19-17-8-6-5-7-15(17)12-18-16-10-9-13(2)11-14(16)3/h5-11,18H,4,12H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline?
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 29274401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).