3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline

C16H18ClFN2 — CID 105105636

IUPAC3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H18ClFN2/c1-20(2)12-6-3-5-11(9-12)16(19)10-13-14(17)7-4-8-15(13)18/h3-9,16H,10,19H2,1-2H3
InChIKeyJWDOQFUVMTWPFK-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.79
Rot. Bonds4

About 3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline

3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline (PubChem CID 105105636) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline
PubChem CID105105636
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H18ClFN2/c1-20(2)12-6-3-5-11(9-12)16(19)10-13-14(17)7-4-8-15(13)18/h3-9,16H,10,19H2,1-2H3
InChIKeyJWDOQFUVMTWPFK-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858
3-[1-amino-2-(4-bromo-2-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105137133
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681
3-(2-chloro-6-fluorophenyl)-2-[4-(dimethylamino)phenyl]propanenitrile
CID 82139818
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075
3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline
CID 105089022
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
CID 105141994
3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
CID 105142950
3-(1-amino-2-ethoxyethyl)-N,N-dimethylaniline
CID 105165045

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline (CID 105105636) is 3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline is CN(C)c1cccc(C(N)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is JWDOQFUVMTWPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-20(2)12-6-3-5-11(9-12)16(19)10-13-14(17)7-4-8-15(13)18/h3-9,16H,10,19H2,1-2H3.
What are the key properties of 3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline?
3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline has a molecular weight of 292.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105105636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).