trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride

C11H16ClNO — CID 67724051

IUPACtrans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCC[C@H]1Oc1ccccc1
InChIInChI=1S/C11H15NO.ClH/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8,12H2;1H/t10-,11-;/m1./s1
InChIKeyBGYSWNXGAPYEPB-NDXYWBNTSA-N
MW213.71 g/mol
LogP2.37
Rot. Bonds2

About trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride

trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride (PubChem CID 67724051) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride
PubChem CID67724051
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Nametrans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCC[C@H]1Oc1ccccc1
InChIInChI=1S/C11H15NO.ClH/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8,12H2;1H/t10-,11-;/m1./s1
InChIKeyBGYSWNXGAPYEPB-NDXYWBNTSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride (CID 67724051) is trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride is Cl.N[C@@H]1CCC[C@H]1Oc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride?
The InChIKey is BGYSWNXGAPYEPB-NDXYWBNTSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8,12H2;1H/t10-,11-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride?
trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-phenoxycyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 67724051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).