N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine

C17H19FN2 — CID 116517837

IUPACN-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)C1CC1c1ccccc1
InChIInChI=1S/C17H19FN2/c1-2-20-17(13-8-9-19-11-16(13)18)15-10-14(15)12-6-4-3-5-7-12/h3-9,11,14-15,17,20H,2,10H2,1H3
InChIKeyGGOSBYGXNAAUAR-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.67
Rot. Bonds5

About N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine

N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 116517837) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID116517837
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC NameN-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)C1CC1c1ccccc1
InChIInChI=1S/C17H19FN2/c1-2-20-17(13-8-9-19-11-16(13)18)15-10-14(15)12-6-4-3-5-7-12/h3-9,11,14-15,17,20H,2,10H2,1H3
InChIKeyGGOSBYGXNAAUAR-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517836
(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methanol
CID 116517288
N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 113447257
N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052491
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105066144
N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052687
N-[(3-fluoro-4-pyridinyl)-(thian-2-yl)methyl]ethanamine
CID 113447287
N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490
N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517426
N-[(2,2-dimethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107190887
N-[(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114623400
N-ethyl-1-(2-phenylcyclopropyl)-3-pyridin-3-ylpropan-1-amine
CID 105189087

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine (CID 116517837) is N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine is CCNC(c1ccncc1F)C1CC1c1ccccc1.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is GGOSBYGXNAAUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-2-20-17(13-8-9-19-11-16(13)18)15-10-14(15)12-6-4-3-5-7-12/h3-9,11,14-15,17,20H,2,10H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 270.35 g/mol, XLogP of 3.67, 5 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)-(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 116517837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).