1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride

C11H16ClN — CID 69313272

IUPAC1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride
SMILESCCc1cccc(C2(N)CC2)c1.Cl
InChIInChI=1S/C11H15N.ClH/c1-2-9-4-3-5-10(8-9)11(12)6-7-11;/h3-5,8H,2,6-7,12H2,1H3;1H
InChIKeyWCQKOAUXRMDUHG-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.62
Rot. Bonds2

About 1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride

1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 69313272) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride
PubChem CID69313272
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride
SMILESCCc1cccc(C2(N)CC2)c1.Cl
InChIInChI=1S/C11H15N.ClH/c1-2-9-4-3-5-10(8-9)11(12)6-7-11;/h3-5,8H,2,6-7,12H2,1H3;1H
InChIKeyWCQKOAUXRMDUHG-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride (CID 69313272) is 1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride is CCc1cccc(C2(N)CC2)c1.Cl.
What is the InChIKey of 1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is WCQKOAUXRMDUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-2-9-4-3-5-10(8-9)11(12)6-7-11;/h3-5,8H,2,6-7,12H2,1H3;1H.
What are the key properties of 1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride?
1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 69313272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).