1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

C15H13ClF3N — CID 105406135

IUPAC1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClF3N/c1-20-15(10-2-3-14(19)13(16)7-10)6-9-4-11(17)8-12(18)5-9/h2-5,7-8,15,20H,6H2,1H3
InChIKeyWOMUZFTWXYFWAD-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.26
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (PubChem CID 105406135) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
PubChem CID105406135
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClF3N/c1-20-15(10-2-3-14(19)13(16)7-10)6-9-4-11(17)8-12(18)5-9/h2-5,7-8,15,20H,6H2,1H3
InChIKeyWOMUZFTWXYFWAD-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63418484
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 82876788
1-(3-chloro-4-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 63094690
1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103040190
1-(3-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63418747

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (CID 105406135) is 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The InChIKey is WOMUZFTWXYFWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-20-15(10-2-3-14(19)13(16)7-10)6-9-4-11(17)8-12(18)5-9/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 105406135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).