1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine

C17H19ClFN — CID 63419886

IUPAC1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1ccc(F)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-11-4-5-12(2)13(8-11)9-17(20-3)15-7-6-14(19)10-16(15)18/h4-8,10,17,20H,9H2,1-3H3
InChIKeyYVAYVXHTKSGGPB-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.60
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine

1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine (PubChem CID 63419886) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
PubChem CID63419886
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1ccc(F)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-11-4-5-12(2)13(8-11)9-17(20-3)15-7-6-14(19)10-16(15)18/h4-8,10,17,20H,9H2,1-3H3
InChIKeyYVAYVXHTKSGGPB-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63420241
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
[1-(2-chloro-4-methylphenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 106859721
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447132
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929
1-(3-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63418747
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine (CID 63419886) is 1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1C)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is YVAYVXHTKSGGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-11-4-5-12(2)13(8-11)9-17(20-3)15-7-6-14(19)10-16(15)18/h4-8,10,17,20H,9H2,1-3H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63419886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).