[(1R,2R)-2-phenylmethoxycyclopentyl]azanium

C12H18NO+ — CID 11863648

IUPAC[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
SMILES[NH3+][C@@H]1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C12H17NO/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/p+1/t11-,12-/m1/s1
InChIKeyJIMSXLUBRRQALI-VXGBXAGGSA-O
MW192.28 g/mol
LogP1.37
Rot. Bonds3

About [(1R,2R)-2-phenylmethoxycyclopentyl]azanium

[(1R,2R)-2-phenylmethoxycyclopentyl]azanium (PubChem CID 11863648) has the molecular formula C12H18NO+ and a molecular weight of 192.28 g/mol. Its IUPAC name is [(1R,2R)-2-phenylmethoxycyclopentyl]azanium.

Molecular Properties

Compound Name[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
PubChem CID11863648
Molecular FormulaC12H18NO+
Molecular Weight192.28 g/mol
Exact Mass192.14
IUPAC Name[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
SMILES[NH3+][C@@H]1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C12H17NO/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/p+1/t11-,12-/m1/s1
InChIKeyJIMSXLUBRRQALI-VXGBXAGGSA-O
XLogP1.37
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
[(1S,2S)-2-isocyanatocyclopentyl]oxymethylbenzene
CID 11863571
(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol
CID 15936956
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
[(1R,2R)-2-isothiocyanatocyclopentyl]oxymethylbenzene
CID 11863569
2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
CID 68810098
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
CID 15200792
CID 15200792

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-phenylmethoxycyclopentyl]azanium?
The IUPAC name of [(1R,2R)-2-phenylmethoxycyclopentyl]azanium (CID 11863648) is [(1R,2R)-2-phenylmethoxycyclopentyl]azanium.
What is the SMILES notation for [(1R,2R)-2-phenylmethoxycyclopentyl]azanium?
The canonical SMILES for [(1R,2R)-2-phenylmethoxycyclopentyl]azanium is [NH3+][C@@H]1CCC[C@H]1OCc1ccccc1.
What is the InChIKey of [(1R,2R)-2-phenylmethoxycyclopentyl]azanium?
The InChIKey is JIMSXLUBRRQALI-VXGBXAGGSA-O. The full InChI is InChI=1S/C12H17NO/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/p+1/t11-,12-/m1/s1.
What are the key properties of [(1R,2R)-2-phenylmethoxycyclopentyl]azanium?
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium has a molecular weight of 192.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-phenylmethoxycyclopentyl]azanium is sourced from PubChem (CID 11863648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).