2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine

C15H14Cl2FN — CID 79704202

IUPAC2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
SMILESCc1cc(F)cc(C(N)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-9-5-10(7-11(18)6-9)15(19)8-12-13(16)3-2-4-14(12)17/h2-7,15H,8,19H2,1H3
InChIKeyBQAVQWPCQGZXGN-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.68
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine

2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine (PubChem CID 79704202) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
PubChem CID79704202
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
SMILESCc1cc(F)cc(C(N)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-9-5-10(7-11(18)6-9)15(19)8-12-13(16)3-2-4-14(12)17/h2-7,15H,8,19H2,1H3
InChIKeyBQAVQWPCQGZXGN-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114330130
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681
1-(3,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 107974218
2-(2,6-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104969
1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
2-(2,6-dichlorophenyl)-1-(3,5-difluorophenyl)-N-methylethanamine
CID 63417365
1-(3-fluoro-5-methylphenyl)-2-pyridin-2-ylethanamine
CID 79703275
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine (CID 79704202) is 2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine is Cc1cc(F)cc(C(N)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine?
The InChIKey is BQAVQWPCQGZXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-9-5-10(7-11(18)6-9)15(19)8-12-13(16)3-2-4-14(12)17/h2-7,15H,8,19H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine?
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.68, 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-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 79704202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).