3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline

C17H20F2N2 — CID 105117377

IUPAC3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
SMILESCNC(Cc1ccc(F)cc1F)c1cccc(N(C)C)c1
InChIInChI=1S/C17H20F2N2/c1-20-17(10-12-7-8-14(18)11-16(12)19)13-5-4-6-15(9-13)21(2)3/h4-9,11,17,20H,10H2,1-3H3
InChIKeySKKVLTJLSFQOFT-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.53
Rot. Bonds5

About 3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline

3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline (PubChem CID 105117377) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
PubChem CID105117377
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
SMILESCNC(Cc1ccc(F)cc1F)c1cccc(N(C)C)c1
InChIInChI=1S/C17H20F2N2/c1-20-17(10-12-7-8-14(18)11-16(12)19)13-5-4-6-15(9-13)21(2)3/h4-9,11,17,20H,10H2,1-3H3
InChIKeySKKVLTJLSFQOFT-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105101002
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 103214822
2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81288701
3-[2-(furan-2-yl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105177359
1-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64560819
N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline
CID 105179949
3-[1-amino-2-(4-bromo-2-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105137133
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105096089
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline (CID 105117377) is 3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline is CNC(Cc1ccc(F)cc1F)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline?
The InChIKey is SKKVLTJLSFQOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-20-17(10-12-7-8-14(18)11-16(12)19)13-5-4-6-15(9-13)21(2)3/h4-9,11,17,20H,10H2,1-3H3.
What are the key properties of 3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline?
3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline has a molecular weight of 290.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105117377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).