cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride

C11H16ClN — CID 90197969

IUPACcis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCC[C@]1(N)C[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyOFKMTCIYSCVDFY-DHXVBOOMSA-N
MW197.71 g/mol
LogP2.70
Rot. Bonds2

About cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride

cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride (PubChem CID 90197969) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
PubChem CID90197969
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Namecis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCC[C@]1(N)C[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyOFKMTCIYSCVDFY-DHXVBOOMSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride (CID 90197969) is cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride is CC[C@]1(N)C[C@@H]1c1ccccc1.Cl.
What is the InChIKey of cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
The InChIKey is OFKMTCIYSCVDFY-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11+;/m1./s1.
What are the key properties of cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 90197969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).