2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine

C12H17NO — CID 139707086

IUPAC2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cccc([C@@H]2C[C@H]2CCN)c1
InChIInChI=1S/C12H17NO/c1-14-11-4-2-3-9(7-11)12-8-10(12)5-6-13/h2-4,7,10,12H,5-6,8,13H2,1H3/t10-,12+/m1/s1
InChIKeyZOXRDBRWVBKDFI-PWSUYJOCSA-N
MW191.27 g/mol
LogP2.15
Rot. Bonds4

About 2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine

2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine (PubChem CID 139707086) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
PubChem CID139707086
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cccc([C@@H]2C[C@H]2CCN)c1
InChIInChI=1S/C12H17NO/c1-14-11-4-2-3-9(7-11)12-8-10(12)5-6-13/h2-4,7,10,12H,5-6,8,13H2,1H3/t10-,12+/m1/s1
InChIKeyZOXRDBRWVBKDFI-PWSUYJOCSA-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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Related Compounds

1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
[4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 81012051
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945
[2-(3-phenoxyphenyl)cyclopropyl]methanamine
CID 62708512
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
1-[2-(3-methoxyphenyl)cyclopropyl]ethanol
CID 43828915
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine (CID 139707086) is 2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine is COc1cccc([C@@H]2C[C@H]2CCN)c1.
What is the InChIKey of 2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is ZOXRDBRWVBKDFI-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-11-4-2-3-9(7-11)12-8-10(12)5-6-13/h2-4,7,10,12H,5-6,8,13H2,1H3/t10-,12+/m1/s1.
What are the key properties of 2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine?
2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine 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 2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 139707086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).