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

C15H23FN2 — CID 113447257

IUPACN-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)C1CCC(CC)C1
InChIInChI=1S/C15H23FN2/c1-3-11-5-6-12(9-11)15(18-4-2)13-7-8-17-10-14(13)16/h7-8,10-12,15,18H,3-6,9H2,1-2H3
InChIKeyPNHIVQHYGGHORK-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.70
Rot. Bonds5

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

N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (PubChem CID 113447257) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
PubChem CID113447257
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)C1CCC(CC)C1
InChIInChI=1S/C15H23FN2/c1-3-11-5-6-12(9-11)15(18-4-2)13-7-8-17-10-14(13)16/h7-8,10-12,15,18H,3-6,9H2,1-2H3
InChIKeyPNHIVQHYGGHORK-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylcyclopentyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 65411816
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
N-[(3-fluoro-4-pyridinyl)-(thian-2-yl)methyl]ethanamine
CID 113447287
[(3-ethylcyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105233566
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
N-[(2,2-dimethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107190887
(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 130679719
5-chloro-3-[ethylamino-(3-ethylcyclopentyl)methyl]pyridin-2-amine
CID 65410245
3-[2-(ethylamino)-2-(3-ethylcyclopentyl)ethyl]pyridin-4-amine
CID 65409654
N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81301647
tert-butyl 3-[ethylamino-(3-fluoro-4-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 107092697
N-[(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114623400

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (CID 113447257) is N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is CCNC(c1ccncc1F)C1CCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The InChIKey is PNHIVQHYGGHORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-11-5-6-12(9-11)15(18-4-2)13-7-8-17-10-14(13)16/h7-8,10-12,15,18H,3-6,9H2,1-2H3.
What are the key properties of N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 113447257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).