cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride

C12H18ClN — CID 173470709

IUPACcis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride
SMILESC[C@@]1(c2ccccc2)CC[C@@H](N)C1.Cl
InChIInChI=1S/C12H17N.ClH/c1-12(8-7-11(13)9-12)10-5-3-2-4-6-10;/h2-6,11H,7-9,13H2,1H3;1H/t11-,12-;/m1./s1
InChIKeyHQOXRJRHIYUUDE-MNMPKAIFSA-N
MW211.74 g/mol
LogP2.88
Rot. Bonds1

About cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride

cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride (PubChem CID 173470709) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride
PubChem CID173470709
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Namecis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride
SMILESC[C@@]1(c2ccccc2)CC[C@@H](N)C1.Cl
InChIInChI=1S/C12H17N.ClH/c1-12(8-7-11(13)9-12)10-5-3-2-4-6-10;/h2-6,11H,7-9,13H2,1H3;1H/t11-,12-;/m1./s1
InChIKeyHQOXRJRHIYUUDE-MNMPKAIFSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride (CID 173470709) is cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride is C[C@@]1(c2ccccc2)CC[C@@H](N)C1.Cl.
What is the InChIKey of cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride?
The InChIKey is HQOXRJRHIYUUDE-MNMPKAIFSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-12(8-7-11(13)9-12)10-5-3-2-4-6-10;/h2-6,11H,7-9,13H2,1H3;1H/t11-,12-;/m1./s1.
What are the key properties of cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride?
cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 173470709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).