N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline

C19H25NO2 — CID 54797123

IUPACN-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline
SMILESCCOCCOc1ccccc1CNc1cc(C)ccc1C
InChIInChI=1S/C19H25NO2/c1-4-21-11-12-22-19-8-6-5-7-17(19)14-20-18-13-15(2)9-10-16(18)3/h5-10,13,20H,4,11-12,14H2,1-3H3
InChIKeyJTPOIEYTYGRPJN-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.33
Rot. Bonds8

About N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline

N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline (PubChem CID 54797123) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline
PubChem CID54797123
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline
SMILESCCOCCOc1ccccc1CNc1cc(C)ccc1C
InChIInChI=1S/C19H25NO2/c1-4-21-11-12-22-19-8-6-5-7-17(19)14-20-18-13-15(2)9-10-16(18)3/h5-10,13,20H,4,11-12,14H2,1-3H3
InChIKeyJTPOIEYTYGRPJN-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128637
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
5-chloro-2-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39394866
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
N-[(2-butoxyphenyl)methyl]-5-chloro-2-methylaniline
CID 39432260
N-(2-ethoxyethyl)-2,5-dimethylaniline
CID 43387810
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
CID 54801770
4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54796330
3-[(2-ethoxyphenyl)methylamino]-4-methylbenzoic acid
CID 17059260
N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 63323300

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline?
The IUPAC name of N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline (CID 54797123) is N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline is CCOCCOc1ccccc1CNc1cc(C)ccc1C.
What is the InChIKey of N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline?
The InChIKey is JTPOIEYTYGRPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-21-11-12-22-19-8-6-5-7-17(19)14-20-18-13-15(2)9-10-16(18)3/h5-10,13,20H,4,11-12,14H2,1-3H3.
What are the key properties of N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline?
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline has a molecular weight of 299.41 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline is sourced from PubChem (CID 54797123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).