1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride

C13H20ClNO — CID 139451737

IUPAC1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride
SMILESCc1cc(C)cc(OCC(N)C2CC2)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9-5-10(2)7-12(6-9)15-8-13(14)11-3-4-11;/h5-7,11,13H,3-4,8,14H2,1-2H3;1H
InChIKeyGUFRVRJGTDKPAZ-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.84
Rot. Bonds4

About 1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride

1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride (PubChem CID 139451737) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride
PubChem CID139451737
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride
SMILESCc1cc(C)cc(OCC(N)C2CC2)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9-5-10(2)7-12(6-9)15-8-13(14)11-3-4-11;/h5-7,11,13H,3-4,8,14H2,1-2H3;1H
InChIKeyGUFRVRJGTDKPAZ-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride (CID 139451737) is 1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride is Cc1cc(C)cc(OCC(N)C2CC2)c1.Cl.
What is the InChIKey of 1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride?
The InChIKey is GUFRVRJGTDKPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-9-5-10(2)7-12(6-9)15-8-13(14)11-3-4-11;/h5-7,11,13H,3-4,8,14H2,1-2H3;1H.
What are the key properties of 1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride?
1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 139451737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).