N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine

C14H21FN2 — CID 105038430

IUPACN-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)C1(C)CCCC1
InChIInChI=1S/C14H21FN2/c1-3-17-13(14(2)7-4-5-8-14)11-6-9-16-10-12(11)15/h6,9-10,13,17H,3-5,7-8H2,1-2H3
InChIKeyNBGJRXIQTKKLPQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.45
Rot. Bonds4

About N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine

N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine (PubChem CID 105038430) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
PubChem CID105038430
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)C1(C)CCCC1
InChIInChI=1S/C14H21FN2/c1-3-17-13(14(2)7-4-5-8-14)11-6-9-16-10-12(11)15/h6,9-10,13,17H,3-5,7-8H2,1-2H3
InChIKeyNBGJRXIQTKKLPQ-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 104738479
N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830050
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
CID 115834007
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine
CID 105038093
N-[(2,2-dimethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107190887
N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 107476482
N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106826887
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(2-methyloxan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708424
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 115801708
N-[(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114623400
N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104738490

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine (CID 105038430) is N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine is CCNC(c1ccncc1F)C1(C)CCCC1.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine?
The InChIKey is NBGJRXIQTKKLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-17-13(14(2)7-4-5-8-14)11-6-9-16-10-12(11)15/h6,9-10,13,17H,3-5,7-8H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine has a molecular weight of 236.33 g/mol, XLogP of 3.45, 4 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)-(1-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 105038430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).