2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine

C16H16Cl2FN — CID 63413610

IUPAC2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H16Cl2FN/c1-10-3-5-12(9-15(10)19)16(20-2)8-11-4-6-13(17)14(18)7-11/h3-7,9,16,20H,8H2,1-2H3
InChIKeyQYQLALQETXPHTQ-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.94
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine

2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine (PubChem CID 63413610) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
PubChem CID63413610
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H16Cl2FN/c1-10-3-5-12(9-15(10)19)16(20-2)8-11-4-6-13(17)14(18)7-11/h3-7,9,16,20H,8H2,1-2H3
InChIKeyQYQLALQETXPHTQ-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353
2-(4-chloro-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 107891735
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488
1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine (CID 63413610) is 2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(C)c(F)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The InChIKey is QYQLALQETXPHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-10-3-5-12(9-15(10)19)16(20-2)8-11-4-6-13(17)14(18)7-11/h3-7,9,16,20H,8H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine has a molecular weight of 312.22 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 63413610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).