N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine

C17H21FN2 — CID 115374313

IUPACN-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1cncc(C)c1
InChIInChI=1S/C17H21FN2/c1-3-8-20-17(15-9-13(2)11-19-12-15)10-14-4-6-16(18)7-5-14/h4-7,9,11-12,17,20H,3,8,10H2,1-2H3
InChIKeyUVJMPDVOQBOTPW-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 115374313) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID115374313
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1cncc(C)c1
InChIInChI=1S/C17H21FN2/c1-3-8-20-17(15-9-13(2)11-19-12-15)10-14-4-6-16(18)7-5-14/h4-7,9,11-12,17,20H,3,8,10H2,1-2H3
InChIKeyUVJMPDVOQBOTPW-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-[2-(2,6-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105022890
N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105177828
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821262
2-(4-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105101832
N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105374176
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139385
N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79783884
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105122565
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113863

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 115374313) is N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1)c1cncc(C)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is UVJMPDVOQBOTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-8-20-17(15-9-13(2)11-19-12-15)10-14-4-6-16(18)7-5-14/h4-7,9,11-12,17,20H,3,8,10H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(4-fluorophenyl)-1-(5-methyl-3-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-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 115374313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).