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

C12H17NO — CID 70683433

IUPAC[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1ccccc1[C@H]1C[C@@H]1CN
InChIInChI=1S/C12H17NO/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/t9-,11+/m1/s1
InChIKeyRQEZVKHCDXBQPK-KOLCDFICSA-N
MW191.27 g/mol
LogP2.15
Rot. Bonds4

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

[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine (PubChem CID 70683433) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
PubChem CID70683433
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1ccccc1[C@H]1C[C@@H]1CN
InChIInChI=1S/C12H17NO/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/t9-,11+/m1/s1
InChIKeyRQEZVKHCDXBQPK-KOLCDFICSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.15
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?
The IUPAC name of [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine (CID 70683433) is [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine is CCOc1ccccc1[C@H]1C[C@@H]1CN.
What is the InChIKey of [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine?
The InChIKey is RQEZVKHCDXBQPK-KOLCDFICSA-N. The full InChI is InChI=1S/C12H17NO/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/t9-,11+/m1/s1.
What are the key properties of [(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine?
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.15, 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 is sourced from PubChem (CID 70683433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).