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

C17H20FN — CID 43488838

IUPACN-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1cc(C)ccc1C
InChIInChI=1S/C17H20FN/c1-4-19-17(14-7-9-15(18)10-8-14)16-11-12(2)5-6-13(16)3/h5-11,17,19H,4H2,1-3H3
InChIKeyNWIQSPOXDUZLTM-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.14
Rot. Bonds4

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

N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine (PubChem CID 43488838) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
PubChem CID43488838
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1cc(C)ccc1C
InChIInChI=1S/C17H20FN/c1-4-19-17(14-7-9-15(18)10-8-14)16-11-12(2)5-6-13(16)3/h5-11,17,19H,4H2,1-3H3
InChIKeyNWIQSPOXDUZLTM-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
N-[(2,5-dimethylphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487964
N-[(2-ethoxy-5-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62302327
N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62515681
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722028
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(2-bromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851889
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(4-fluoro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 63412127

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine (CID 43488838) is N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)c1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is NWIQSPOXDUZLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-19-17(14-7-9-15(18)10-8-14)16-11-12(2)5-6-13(16)3/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine?
N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43488838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).