1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine

C14H11ClF3N — CID 114885798

IUPAC1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)c1cc(Cl)ccc1F
InChIInChI=1S/C14H11ClF3N/c15-9-1-3-13(18)11(7-9)14(19)6-8-5-10(16)2-4-12(8)17/h1-5,7,14H,6,19H2
InChIKeyDNXJSXBDRCAMAZ-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.00
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine

1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine (PubChem CID 114885798) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
PubChem CID114885798
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)c1cc(Cl)ccc1F
InChIInChI=1S/C14H11ClF3N/c15-9-1-3-13(18)11(7-9)14(19)6-8-5-10(16)2-4-12(8)17/h1-5,7,14H,6,19H2
InChIKeyDNXJSXBDRCAMAZ-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

2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 64714150
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
[1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105280039
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 62505457
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 114855471
2-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine (CID 114885798) is 1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine is NC(Cc1cc(F)ccc1F)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine?
The InChIKey is DNXJSXBDRCAMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-9-1-3-13(18)11(7-9)14(19)6-8-5-10(16)2-4-12(8)17/h1-5,7,14H,6,19H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine?
1-(5-chloro-2-fluorophenyl)-2-(2,5-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-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 114885798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).