2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine

C15H13ClF3N — CID 106866965

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCc1ccc(CC(N)c2c(F)cc(F)cc2F)c(Cl)c1
InChIInChI=1S/C15H13ClF3N/c1-8-2-3-9(11(16)4-8)5-14(20)15-12(18)6-10(17)7-13(15)19/h2-4,6-7,14H,5,20H2,1H3
InChIKeyNYLWGGMQNMTUQL-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 106866965) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID106866965
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCc1ccc(CC(N)c2c(F)cc(F)cc2F)c(Cl)c1
InChIInChI=1S/C15H13ClF3N/c1-8-2-3-9(11(16)4-8)5-14(20)15-12(18)6-10(17)7-13(15)19/h2-4,6-7,14H,5,20H2,1H3
InChIKeyNYLWGGMQNMTUQL-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115840484
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
1-(2-bromo-3,4-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 107538663
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
[1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine
CID 106868756
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine (CID 106866965) is 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine is Cc1ccc(CC(N)c2c(F)cc(F)cc2F)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is NYLWGGMQNMTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-8-2-3-9(11(16)4-8)5-14(20)15-12(18)6-10(17)7-13(15)19/h2-4,6-7,14H,5,20H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 106866965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).