1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine

C15H14ClF2N — CID 61064661

IUPAC1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H14ClF2N/c1-19-15(8-10-2-5-12(17)6-3-10)13-7-4-11(16)9-14(13)18/h2-7,9,15,19H,8H2,1H3
InChIKeyZJOUPWFUSAKSCI-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.12
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine

1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 61064661) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID61064661
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H14ClF2N/c1-19-15(8-10-2-5-12(17)6-3-10)13-7-4-11(16)9-14(13)18/h2-7,9,15,19H,8H2,1H3
InChIKeyZJOUPWFUSAKSCI-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55188147
2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 63084053
1-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63417950
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
CID 63544548
1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 63673272
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63420064
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine (CID 61064661) is 1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is ZJOUPWFUSAKSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-19-15(8-10-2-5-12(17)6-3-10)13-7-4-11(16)9-14(13)18/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine?
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 61064661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).