1-phenoxycyclopentan-1-amine;hydrochloride

C11H16ClNO — CID 19761720

IUPAC1-phenoxycyclopentan-1-amine;hydrochloride
SMILESCl.NC1(Oc2ccccc2)CCCC1
InChIInChI=1S/C11H15NO.ClH/c12-11(8-4-5-9-11)13-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,12H2;1H
InChIKeyRLEHLFDOELDGGT-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.72
Rot. Bonds2

About 1-phenoxycyclopentan-1-amine;hydrochloride

1-phenoxycyclopentan-1-amine;hydrochloride (PubChem CID 19761720) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-phenoxycyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-phenoxycyclopentan-1-amine;hydrochloride
PubChem CID19761720
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-phenoxycyclopentan-1-amine;hydrochloride
SMILESCl.NC1(Oc2ccccc2)CCCC1
InChIInChI=1S/C11H15NO.ClH/c12-11(8-4-5-9-11)13-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,12H2;1H
InChIKeyRLEHLFDOELDGGT-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxycyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-phenoxycyclopentan-1-amine;hydrochloride (CID 19761720) is 1-phenoxycyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-phenoxycyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-phenoxycyclopentan-1-amine;hydrochloride is Cl.NC1(Oc2ccccc2)CCCC1.
What is the InChIKey of 1-phenoxycyclopentan-1-amine;hydrochloride?
The InChIKey is RLEHLFDOELDGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-11(8-4-5-9-11)13-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,12H2;1H.
What are the key properties of 1-phenoxycyclopentan-1-amine;hydrochloride?
1-phenoxycyclopentan-1-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxycyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 19761720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).