1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C18H21F2N — CID 22483185

IUPAC1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C18H21F2N/c1-11-7-12(2)17(13(3)8-11)10-21-14(4)16-6-5-15(19)9-18(16)20/h5-9,14,21H,10H2,1-4H3
InChIKeyNISJKMDILIDQNJ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.74
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 22483185) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID22483185
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C18H21F2N/c1-11-7-12(2)17(13(3)8-11)10-21-14(4)16-6-5-15(19)9-18(16)20/h5-9,14,21H,10H2,1-4H3
InChIKeyNISJKMDILIDQNJ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 22483185) is 1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CNC(C)c2ccc(F)cc2F)c(C)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is NISJKMDILIDQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-11-7-12(2)17(13(3)8-11)10-21-14(4)16-6-5-15(19)9-18(16)20/h5-9,14,21H,10H2,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 22483185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).