1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine

C14H11ClF3N — CID 55152610

IUPAC1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1F)c1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClF3N/c15-12-6-9(16)3-4-11(12)14(19)5-8-1-2-10(17)7-13(8)18/h1-4,6-7,14H,5,19H2
InChIKeyBBLSSSUUJDYEHX-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.00
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine

1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine (PubChem CID 55152610) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
PubChem CID55152610
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1F)c1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClF3N/c15-12-6-9(16)3-4-11(12)14(19)5-8-1-2-10(17)7-13(8)18/h1-4,6-7,14H,5,19H2
InChIKeyBBLSSSUUJDYEHX-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.00
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
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 61077601
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115840484
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
(1R)-1-(2-chloro-4-fluorophenyl)pentane-1,5-diamine
CID 171204201
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63419710

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine (CID 55152610) is 1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine is NC(Cc1ccc(F)cc1F)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine?
The InChIKey is BBLSSSUUJDYEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-12-6-9(16)3-4-11(12)14(19)5-8-1-2-10(17)7-13(8)18/h1-4,6-7,14H,5,19H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine?
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine has a molecular weight of 285.70 g/mol, XLogP of 4.00, 3 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-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 55152610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).