trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine

C12H17NO — CID 11908836

IUPACtrans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine
SMILESN[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/t11-,12-/m0/s1
InChIKeyJIMSXLUBRRQALI-RYUDHWBXSA-N
MW191.27 g/mol
LogP2.08
Rot. Bonds3

About trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine

trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine (PubChem CID 11908836) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine
PubChem CID11908836
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nametrans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine
SMILESN[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/t11-,12-/m0/s1
InChIKeyJIMSXLUBRRQALI-RYUDHWBXSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine (CID 11908836) is trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine is N[C@H]1CCC[C@@H]1OCc1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine?
The InChIKey is JIMSXLUBRRQALI-RYUDHWBXSA-N. 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/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine?
trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine is sourced from PubChem (CID 11908836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).