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

C17H20ClNO — CID 70693927

IUPAC[(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H19NO.ClH/c18-11-14-10-16(14)15-8-4-5-9-17(15)19-12-13-6-2-1-3-7-13;/h1-9,14,16H,10-12,18H2;1H/t14-,16+;/m1./s1
InChIKeyCGXSQMDIDHLRFQ-XMZRARIVSA-N
MW289.81 g/mol
LogP3.75
Rot. Bonds5

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

[(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 70693927) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is [(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID70693927
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name[(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H19NO.ClH/c18-11-14-10-16(14)15-8-4-5-9-17(15)19-12-13-6-2-1-3-7-13;/h1-9,14,16H,10-12,18H2;1H/t14-,16+;/m1./s1
InChIKeyCGXSQMDIDHLRFQ-XMZRARIVSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.75
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-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride (CID 70693927) is [(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1.
What is the InChIKey of [(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is CGXSQMDIDHLRFQ-XMZRARIVSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c18-11-14-10-16(14)15-8-4-5-9-17(15)19-12-13-6-2-1-3-7-13;/h1-9,14,16H,10-12,18H2;1H/t14-,16+;/m1./s1.
What are the key properties of [(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.75, 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-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 70693927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).