[2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine

C12H17BrN2O — CID 104799648

IUPAC[2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine
SMILESNCC1CCCC1OCc1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-11-4-9(6-15-7-11)8-16-12-3-1-2-10(12)5-14/h4,6-7,10,12H,1-3,5,8,14H2
InChIKeyHJYPKOHWMJKWGM-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.49
Rot. Bonds4

About [2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine

[2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine (PubChem CID 104799648) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is [2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine
PubChem CID104799648
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name[2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine
SMILESNCC1CCCC1OCc1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-11-4-9(6-15-7-11)8-16-12-3-1-2-10(12)5-14/h4,6-7,10,12H,1-3,5,8,14H2
InChIKeyHJYPKOHWMJKWGM-UHFFFAOYSA-N
XLogP2.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine
CID 104799662
3-bromo-5-(oxetan-3-yloxymethyl)pyridine
CID 102607218
[2-[(3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 43428902
[2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine
CID 106938380
2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide
CID 114222312
[2-[(4-chloro-3-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 107882768
3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
CID 104797401
[2-[(3-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 43329442
[2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine
CID 66319999
(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine
CID 126675394
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520
methyl 4-[(5-bromo-3-pyridinyl)methoxy]cyclohexane-1-carboxylate
CID 114450840

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine?
The IUPAC name of [2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine (CID 104799648) is [2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine?
The canonical SMILES for [2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine is NCC1CCCC1OCc1cncc(Br)c1.
What is the InChIKey of [2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine?
The InChIKey is HJYPKOHWMJKWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-11-4-9(6-15-7-11)8-16-12-3-1-2-10(12)5-14/h4,6-7,10,12H,1-3,5,8,14H2.
What are the key properties of [2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine?
[2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine has a molecular weight of 285.19 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine is sourced from PubChem (CID 104799648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).