2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine

C16H16ClF2N — CID 106866648

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(C)c(F)cc2F)c(Cl)c1
InChIInChI=1S/C16H16ClF2N/c1-9-3-4-11(13(17)5-9)7-16(20)12-6-10(2)14(18)8-15(12)19/h3-6,8,16H,7,20H2,1-2H3
InChIKeyHBSNGQZQFRQVIR-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.48
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine (PubChem CID 106866648) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
PubChem CID106866648
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(C)c(F)cc2F)c(Cl)c1
InChIInChI=1S/C16H16ClF2N/c1-9-3-4-11(13(17)5-9)7-16(20)12-6-10(2)14(18)8-15(12)19/h3-6,8,16H,7,20H2,1-2H3
InChIKeyHBSNGQZQFRQVIR-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685
2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115840484
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115830073
1-(2-bromo-3,4-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 107538663
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 106866965
1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106866364
2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115844832
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 105398473
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine (CID 106866648) is 2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine is Cc1ccc(CC(N)c2cc(C)c(F)cc2F)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
The InChIKey is HBSNGQZQFRQVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-9-3-4-11(13(17)5-9)7-16(20)12-6-10(2)14(18)8-15(12)19/h3-6,8,16H,7,20H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine has a molecular weight of 295.76 g/mol, XLogP of 4.48, 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-difluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 106866648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).