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

C13H20ClNO — CID 70687694

IUPAC[(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCCCOc1ccccc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-7-15-13-6-4-3-5-11(13)12-8-10(12)9-14;/h3-6,10,12H,2,7-9,14H2,1H3;1H/t10-,12+;/m1./s1
InChIKeyHCANMEYPFGKIFF-IYJPBCIQSA-N
MW241.76 g/mol
LogP2.96
Rot. Bonds5

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

[(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 70687694) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is [(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID70687694
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name[(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCCCOc1ccccc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-7-15-13-6-4-3-5-11(13)12-8-10(12)9-14;/h3-6,10,12H,2,7-9,14H2,1H3;1H/t10-,12+;/m1./s1
InChIKeyHCANMEYPFGKIFF-IYJPBCIQSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride (CID 70687694) is [(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride is CCCOc1ccccc1[C@H]1C[C@@H]1CN.Cl.
What is the InChIKey of [(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is HCANMEYPFGKIFF-IYJPBCIQSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-7-15-13-6-4-3-5-11(13)12-8-10(12)9-14;/h3-6,10,12H,2,7-9,14H2,1H3;1H/t10-,12+;/m1./s1.
What are the key properties of [(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.96, 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-propoxyphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 70687694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).