2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine

C15H14Cl2FN — CID 103052955

IUPAC2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
SMILESCc1cc(Cl)cc(C(N)Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H14Cl2FN/c1-9-4-11(7-13(17)5-9)15(19)8-10-6-12(16)2-3-14(10)18/h2-7,15H,8,19H2,1H3
InChIKeyUIZXVYDILRSIAA-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.68
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine

2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine (PubChem CID 103052955) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
PubChem CID103052955
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
SMILESCc1cc(Cl)cc(C(N)Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H14Cl2FN/c1-9-4-11(7-13(17)5-9)15(19)8-10-6-12(16)2-3-14(10)18/h2-7,15H,8,19H2,1H3
InChIKeyUIZXVYDILRSIAA-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-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 106273635
1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 107945220
2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 103053140
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 81316901
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216603
1-(3-chloro-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 81323338
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine (CID 103052955) is 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine is Cc1cc(Cl)cc(C(N)Cc2cc(Cl)ccc2F)c1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine?
The InChIKey is UIZXVYDILRSIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-9-4-11(7-13(17)5-9)15(19)8-10-6-12(16)2-3-14(10)18/h2-7,15H,8,19H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine?
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-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-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine is sourced from PubChem (CID 103052955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).