2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine

C16H17ClFNO — CID 61079682

IUPAC2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1c(F)cccc1Cl)c1cccc(OC)c1
InChIInChI=1S/C16H17ClFNO/c1-19-16(11-5-3-6-12(9-11)20-2)10-13-14(17)7-4-8-15(13)18/h3-9,16,19H,10H2,1-2H3
InChIKeyFGDFMYVQMHRHSQ-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.99
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine

2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 61079682) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID61079682
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1c(F)cccc1Cl)c1cccc(OC)c1
InChIInChI=1S/C16H17ClFNO/c1-19-16(11-5-3-6-12(9-11)20-2)10-13-14(17)7-4-8-15(13)18/h3-9,16,19H,10H2,1-2H3
InChIKeyFGDFMYVQMHRHSQ-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine 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

2-(2-chloro-6-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486472
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214727
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62606417
[2-(2,6-dichlorophenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191602
(1S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376672
2-(2-chloro-6-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503364
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63418484
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 107476331
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine (CID 61079682) is 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1c(F)cccc1Cl)c1cccc(OC)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is FGDFMYVQMHRHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-19-16(11-5-3-6-12(9-11)20-2)10-13-14(17)7-4-8-15(13)18/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 293.77 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 61079682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).