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

C14H11Cl2F2N — CID 62600681

IUPAC2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11Cl2F2N/c15-10-2-1-3-11(16)9(10)7-14(19)8-4-5-12(17)13(18)6-8/h1-6,14H,7,19H2
InChIKeyAYXHMNMYPVODLP-UHFFFAOYSA-N
MW302.15 g/mol
LogP4.51
Rot. Bonds3

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

2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine (PubChem CID 62600681) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
PubChem CID62600681
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11Cl2F2N/c15-10-2-1-3-11(16)9(10)7-14(19)8-4-5-12(17)13(18)6-8/h1-6,14H,7,19H2
InChIKeyAYXHMNMYPVODLP-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

2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858
2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 55095679
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 107974218
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine (CID 62600681) is 2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine is NC(Cc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine?
The InChIKey is AYXHMNMYPVODLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c15-10-2-1-3-11(16)9(10)7-14(19)8-4-5-12(17)13(18)6-8/h1-6,14H,7,19H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine?
2-(2,6-dichlorophenyl)-1-(3,4-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-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 62600681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).