1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine

C16H16Cl2FNO — CID 105035564

IUPAC1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-20-13(11-6-4-7-12(17)15(11)18)9-10-5-3-8-14(21-2)16(10)19/h3-8,13,20H,9H2,1-2H3
InChIKeyQSALEZUVFQARDP-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.64
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine

1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine (PubChem CID 105035564) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
PubChem CID105035564
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-20-13(11-6-4-7-12(17)15(11)18)9-10-5-3-8-14(21-2)16(10)19/h3-8,13,20H,9H2,1-2H3
InChIKeyQSALEZUVFQARDP-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichlorophenyl)-2-(2-fluoro-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

[1-(2-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105211219
1-(2-chlorophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 104793876
1-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64560819
1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826207
1-(3-chloro-5-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035700
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107946710
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
1-[3-bromo-2-(2-chlorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795547
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 105035412
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 102866450

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine (CID 105035564) is 1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(OC)c1F)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is QSALEZUVFQARDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-20-13(11-6-4-7-12(17)15(11)18)9-10-5-3-8-14(21-2)16(10)19/h3-8,13,20H,9H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine has a molecular weight of 328.21 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 105035564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).