[(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride

C14H22ClNO — CID 70681341

IUPAC[(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCC(C)COc1ccccc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10(2)9-16-14-6-4-3-5-12(14)13-7-11(13)8-15;/h3-6,10-11,13H,7-9,15H2,1-2H3;1H/t11-,13+;/m1./s1
InChIKeyUENIGBZIMJHSKL-YLAFAASESA-N
MW255.79 g/mol
LogP3.21
Rot. Bonds5

About [(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 70681341) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is [(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride
PubChem CID70681341
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name[(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCC(C)COc1ccccc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10(2)9-16-14-6-4-3-5-12(14)13-7-11(13)8-15;/h3-6,10-11,13H,7-9,15H2,1-2H3;1H/t11-,13+;/m1./s1
InChIKeyUENIGBZIMJHSKL-YLAFAASESA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride (CID 70681341) is [(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride is CC(C)COc1ccccc1[C@H]1C[C@@H]1CN.Cl.
What is the InChIKey of [(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is UENIGBZIMJHSKL-YLAFAASESA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-10(2)9-16-14-6-4-3-5-12(14)13-7-11(13)8-15;/h3-6,10-11,13H,7-9,15H2,1-2H3;1H/t11-,13+;/m1./s1.
What are the key properties of [(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 70681341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).