N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine

C17H21FN2 — CID 79713772

IUPACN-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)c1cc(C)ccc1C
InChIInChI=1S/C17H21FN2/c1-4-9-19-17(16-8-7-14(18)11-20-16)15-10-12(2)5-6-13(15)3/h5-8,10-11,17,19H,4,9H2,1-3H3
InChIKeyOHCJNKKUZUHFIN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.93
Rot. Bonds5

About N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine

N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine (PubChem CID 79713772) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
PubChem CID79713772
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)c1cc(C)ccc1C
InChIInChI=1S/C17H21FN2/c1-4-9-19-17(16-8-7-14(18)11-20-16)15-10-12(2)5-6-13(15)3/h5-8,10-11,17,19H,4,9H2,1-3H3
InChIKeyOHCJNKKUZUHFIN-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-5-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79712894
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722028
N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 78923898
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106645887
N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713087
N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63555093
N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106653894
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 79713103

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine (CID 79713772) is N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cn1)c1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is OHCJNKKUZUHFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-4-9-19-17(16-8-7-14(18)11-20-16)15-10-12(2)5-6-13(15)3/h5-8,10-11,17,19H,4,9H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 272.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 79713772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).