1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine

C14H10Cl2F3N — CID 107892584

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(F)c1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H10Cl2F3N/c15-9-2-1-7(3-12(9)18)4-14(20)8-5-13(19)10(16)6-11(8)17/h1-3,5-6,14H,4,20H2
InChIKeyCYLCNEQULQRUGF-UHFFFAOYSA-N
MW320.14 g/mol
LogP4.65
Rot. Bonds3

About 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine

1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine (PubChem CID 107892584) has the molecular formula C14H10Cl2F3N and a molecular weight of 320.14 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
PubChem CID107892584
Molecular FormulaC14H10Cl2F3N
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(F)c1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H10Cl2F3N/c15-9-2-1-7(3-12(9)18)4-14(20)8-5-13(19)10(16)6-11(8)17/h1-3,5-6,14H,4,20H2
InChIKeyCYLCNEQULQRUGF-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine
CID 82772910
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 107885313
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 107891606
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 82773222
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 107891668
1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
CID 107476079
2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
CID 114012684
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine (CID 107892584) is 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine is NC(Cc1ccc(Cl)c(F)c1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The InChIKey is CYLCNEQULQRUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N/c15-9-2-1-7(3-12(9)18)4-14(20)8-5-13(19)10(16)6-11(8)17/h1-3,5-6,14H,4,20H2.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine has a molecular weight of 320.14 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 107892584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).