3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline

C18H23FN2 — CID 105096089

IUPAC3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
SMILESCCNC(Cc1cccc(F)c1)c1cccc(N(C)C)c1
InChIInChI=1S/C18H23FN2/c1-4-20-18(12-14-7-5-9-16(19)11-14)15-8-6-10-17(13-15)21(2)3/h5-11,13,18,20H,4,12H2,1-3H3
InChIKeyMTNNZGXXFVKLAC-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.79
Rot. Bonds6

About 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline

3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline (PubChem CID 105096089) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
PubChem CID105096089
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
SMILESCCNC(Cc1cccc(F)c1)c1cccc(N(C)C)c1
InChIInChI=1S/C18H23FN2/c1-4-20-18(12-14-7-5-9-16(19)11-14)15-8-6-10-17(13-15)21(2)3/h5-11,13,18,20H,4,12H2,1-3H3
InChIKeyMTNNZGXXFVKLAC-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylaniline
CID 105085030
3-[1-(ethylamino)butyl]-N,N-dimethylaniline
CID 105080535
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095783
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63020068
4-[2-(3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105286335
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 107945134
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
CID 62607725

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline (CID 105096089) is 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline is CCNC(Cc1cccc(F)c1)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is MTNNZGXXFVKLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-20-18(12-14-7-5-9-16(19)11-14)15-8-6-10-17(13-15)21(2)3/h5-11,13,18,20H,4,12H2,1-3H3.
What are the key properties of 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline?
3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline has a molecular weight of 286.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105096089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).