4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline

C17H21FN2O — CID 60942297

IUPAC4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
SMILESCN(C)CCOc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2O/c1-20(2)11-12-21-17-9-7-16(8-10-17)19-13-14-3-5-15(18)6-4-14/h3-10,19H,11-13H2,1-2H3
InChIKeyLUSKLFDYXNEQBP-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.38
Rot. Bonds7

About 4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline

4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline (PubChem CID 60942297) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
PubChem CID60942297
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
SMILESCN(C)CCOc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2O/c1-20(2)11-12-21-17-9-7-16(8-10-17)19-13-14-3-5-15(18)6-4-14/h3-10,19H,11-13H2,1-2H3
InChIKeyLUSKLFDYXNEQBP-UHFFFAOYSA-N
XLogP3.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60942295
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline
CID 54801973
4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 60944044
4-[2-(dimethylamino)ethoxy]-N-(furan-2-ylmethyl)aniline
CID 54863892
N-[4-[4-[(4-fluoroanilino)methyl]phenoxy]butyl]pyrimidin-2-amine
CID 173253406
4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
CID 106675367
[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
CID 64591781

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline (CID 60942297) is 4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline is CN(C)CCOc1ccc(NCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline?
The InChIKey is LUSKLFDYXNEQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-20(2)11-12-21-17-9-7-16(8-10-17)19-13-14-3-5-15(18)6-4-14/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline?
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline has a molecular weight of 288.37 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 60942297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).