2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine

C15H14ClF2N — CID 115840484

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C15H14ClF2N/c1-9-2-5-12(14(18)6-9)15(19)7-10-3-4-11(17)8-13(10)16/h2-6,8,15H,7,19H2,1H3
InChIKeyNXRKZWBNONFILC-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.17
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine

2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine (PubChem CID 115840484) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
PubChem CID115840484
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C15H14ClF2N/c1-9-2-5-12(14(18)6-9)15(19)7-10-3-4-11(17)8-13(10)16/h2-6,8,15H,7,19H2,1H3
InChIKeyNXRKZWBNONFILC-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
1-(2-bromo-3,4-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 107538663
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 106866965
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
2-(2-chloro-4-methylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 106867073
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine (CID 115840484) is 2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(N)Cc2ccc(F)cc2Cl)c(F)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine?
The InChIKey is NXRKZWBNONFILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-2-5-12(14(18)6-9)15(19)7-10-3-4-11(17)8-13(10)16/h2-6,8,15H,7,19H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine?
2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 115840484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).