N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine

C17H21FN2 — CID 116544959

IUPACN-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2ccncc2F)c1
InChIInChI=1S/C17H21FN2/c1-3-6-13-7-5-8-14(11-13)17(20-4-2)15-9-10-19-12-16(15)18/h5,7-12,17,20H,3-4,6H2,1-2H3
InChIKeyQWDFULQRMHWSFF-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.87
Rot. Bonds6

About N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine

N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine (PubChem CID 116544959) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
PubChem CID116544959
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2ccncc2F)c1
InChIInChI=1S/C17H21FN2/c1-3-6-13-7-5-8-14(11-13)17(20-4-2)15-9-10-19-12-16(15)18/h5,7-12,17,20H,3-4,6H2,1-2H3
InChIKeyQWDFULQRMHWSFF-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 105066129
N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116545019
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
CID 104738240
[(4-methyl-3-pyridinyl)-(3-propylphenyl)methyl]hydrazine
CID 105279913
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 114887151
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105181884
N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544842

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine (CID 116544959) is N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)c2ccncc2F)c1.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
The InChIKey is QWDFULQRMHWSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-6-13-7-5-8-14(11-13)17(20-4-2)15-9-10-19-12-16(15)18/h5,7-12,17,20H,3-4,6H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine has a molecular weight of 272.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 116544959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).