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

C12H18ClNO — CID 70683432

IUPAC[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCCOc1ccccc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C12H17NO.ClH/c1-2-14-12-6-4-3-5-10(12)11-7-9(11)8-13;/h3-6,9,11H,2,7-8,13H2,1H3;1H/t9-,11+;/m1./s1
InChIKeyBCUFFHJIZAJDLQ-XQKZEKTMSA-N
MW227.74 g/mol
LogP2.57
Rot. Bonds4

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

[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 70683432) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID70683432
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCCOc1ccccc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C12H17NO.ClH/c1-2-14-12-6-4-3-5-10(12)11-7-9(11)8-13;/h3-6,9,11H,2,7-8,13H2,1H3;1H/t9-,11+;/m1./s1
InChIKeyBCUFFHJIZAJDLQ-XQKZEKTMSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.57
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-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride (CID 70683432) is [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride is CCOc1ccccc1[C@H]1C[C@@H]1CN.Cl.
What is the InChIKey of [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is BCUFFHJIZAJDLQ-XQKZEKTMSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-2-14-12-6-4-3-5-10(12)11-7-9(11)8-13;/h3-6,9,11H,2,7-8,13H2,1H3;1H/t9-,11+;/m1./s1.
What are the key properties of [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 70683432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).