N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline

C18H24N2O — CID 43750279

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-4-21-14-16-7-5-6-8-18(16)19-13-15-9-11-17(12-10-15)20(2)3/h5-12,19H,4,13-14H2,1-3H3
InChIKeyWZSCTHCZBCAOLE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.90
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline

N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline (PubChem CID 43750279) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
PubChem CID43750279
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-4-21-14-16-7-5-6-8-18(16)19-13-15-9-11-17(12-10-15)20(2)3/h5-12,19H,4,13-14H2,1-3H3
InChIKeyWZSCTHCZBCAOLE-UHFFFAOYSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
CID 43687256
2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759362
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
CID 79968881
2-(ethoxymethyl)-N-(2-phenylethyl)aniline
CID 43750318
2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43750319
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline
CID 43792111
N-[[4-(dimethylamino)phenyl]methyl]-2-methylsulfonylaniline
CID 43232226
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline
CID 78883027
N-benzyl-2-(methoxymethyl)aniline
CID 43677932

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline (CID 43750279) is N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline is CCOCc1ccccc1NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline?
The InChIKey is WZSCTHCZBCAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-21-14-16-7-5-6-8-18(16)19-13-15-9-11-17(12-10-15)20(2)3/h5-12,19H,4,13-14H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline?
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline has a molecular weight of 284.40 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline is sourced from PubChem (CID 43750279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).