2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine

C14H11Cl2F2N — CID 63044768

IUPAC2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C14H11Cl2F2N/c15-9-5-4-8(6-10(9)16)7-13(19)14-11(17)2-1-3-12(14)18/h1-6,13H,7,19H2
InChIKeyKRYKAPKHFHRNAE-UHFFFAOYSA-N
MW302.15 g/mol
LogP4.51
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine

2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine (PubChem CID 63044768) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine
PubChem CID63044768
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C14H11Cl2F2N/c15-9-5-4-8(6-10(9)16)7-13(19)14-11(17)2-1-3-12(14)18/h1-6,13H,7,19H2
InChIKeyKRYKAPKHFHRNAE-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81454060
[2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105210798
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55139269
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
CID 103443990
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79722329
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 55225048

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine (CID 63044768) is 2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine is NC(Cc1ccc(Cl)c(Cl)c1)c1c(F)cccc1F.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine?
The InChIKey is KRYKAPKHFHRNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c15-9-5-4-8(6-10(9)16)7-13(19)14-11(17)2-1-3-12(14)18/h1-6,13H,7,19H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine?
2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine has a molecular weight of 302.15 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 63044768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).