[(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride

C13H19Cl2NO — CID 118733765

IUPAC[(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h3-4,7,9,11H,2,5-6,8,15H2,1H3;1H/t9-,11+;/m1./s1
InChIKeyBBPBCCGVAHHOPE-XQKZEKTMSA-N
MW276.21 g/mol
LogP3.61
Rot. Bonds5

About [(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 118733765) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is [(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID118733765
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name[(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h3-4,7,9,11H,2,5-6,8,15H2,1H3;1H/t9-,11+;/m1./s1
InChIKeyBBPBCCGVAHHOPE-XQKZEKTMSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride (CID 118733765) is [(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride is CCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN.Cl.
What is the InChIKey of [(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is BBPBCCGVAHHOPE-XQKZEKTMSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h3-4,7,9,11H,2,5-6,8,15H2,1H3;1H/t9-,11+;/m1./s1.
What are the key properties of [(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 118733765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).