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

C14H11Cl3FN — CID 114885921

IUPAC1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C14H11Cl3FN/c15-9-1-3-12(17)8(5-9)6-14(19)11-7-10(16)2-4-13(11)18/h1-5,7,14H,6,19H2
InChIKeyWJKFIOWJPQNFMK-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.03
Rot. Bonds3

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

1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine (PubChem CID 114885921) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
PubChem CID114885921
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C14H11Cl3FN/c15-9-1-3-12(17)8(5-9)6-14(19)11-7-10(16)2-4-13(11)18/h1-5,7,14H,6,19H2
InChIKeyWJKFIOWJPQNFMK-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.61
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
[1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105280226
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
2-(2,5-dichlorophenyl)-1-(2,4-dimethylphenyl)ethanamine
CID 115862990
2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 115863331
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine (CID 114885921) is 1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine is NC(Cc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine?
The InChIKey is WJKFIOWJPQNFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c15-9-1-3-12(17)8(5-9)6-14(19)11-7-10(16)2-4-13(11)18/h1-5,7,14H,6,19H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine?
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine has a molecular weight of 318.61 g/mol, XLogP of 5.03, 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-dichlorophenyl)ethanamine is sourced from PubChem (CID 114885921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).