1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine

C17H19F2N — CID 22483254

IUPAC1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
SMILESCc1ccc(C)c(CNC(C)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H19F2N/c1-11-4-5-12(2)14(8-11)10-20-13(3)16-7-6-15(18)9-17(16)19/h4-9,13,20H,10H2,1-3H3
InChIKeyNQQRVNNLRVQBKD-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.43
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine

1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine (PubChem CID 22483254) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
PubChem CID22483254
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
SMILESCc1ccc(C)c(CNC(C)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H19F2N/c1-11-4-5-12(2)14(8-11)10-20-13(3)16-7-6-15(18)9-17(16)19/h4-9,13,20H,10H2,1-3H3
InChIKeyNQQRVNNLRVQBKD-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.43
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-[(2,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine (CID 22483254) is 1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine is Cc1ccc(C)c(CNC(C)c2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is NQQRVNNLRVQBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11-4-5-12(2)14(8-11)10-20-13(3)16-7-6-15(18)9-17(16)19/h4-9,13,20H,10H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine?
1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.43, 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-[(2,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 22483254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).