N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine

C17H21FN2 — CID 106754896

IUPACN-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)c1ccnc(C)c1
InChIInChI=1S/C17H21FN2/c1-3-9-20-17(15-8-10-19-13(2)11-15)12-14-6-4-5-7-16(14)18/h4-8,10-11,17,20H,3,9,12H2,1-2H3
InChIKeySIZCNKKVYXGSOO-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine

N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine (PubChem CID 106754896) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
PubChem CID106754896
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)c1ccnc(C)c1
InChIInChI=1S/C17H21FN2/c1-3-9-20-17(15-8-10-19-13(2)11-15)12-14-6-4-5-7-16(14)18/h4-8,10-11,17,20H,3,9,12H2,1-2H3
InChIKeySIZCNKKVYXGSOO-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43494023
1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
N-[2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754960
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
N-ethyl-2-(2-methoxyphenyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106754986
1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine
CID 106755069
1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 106754991
N-[2-(1-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587
N-[2-(1-methylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755739
3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 106755154

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine (CID 106754896) is N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1F)c1ccnc(C)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine?
The InChIKey is SIZCNKKVYXGSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-9-20-17(15-8-10-19-13(2)11-15)12-14-6-4-5-7-16(14)18/h4-8,10-11,17,20H,3,9,12H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine?
N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine has a molecular weight of 272.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 106754896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).