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

C12H17NO — CID 28912399

IUPAC(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cccc([C@@H]2C[C@H]2[C@@H](C)N)c1
InChIInChI=1S/C12H17NO/c1-8(13)11-7-12(11)9-4-3-5-10(6-9)14-2/h3-6,8,11-12H,7,13H2,1-2H3/t8-,11+,12+/m1/s1
InChIKeyXCWKUMHYYMEJEJ-ZHAHWJHGSA-N
MW191.27 g/mol
LogP2.15
Rot. Bonds3

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

(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine (PubChem CID 28912399) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
PubChem CID28912399
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cccc([C@@H]2C[C@H]2[C@@H](C)N)c1
InChIInChI=1S/C12H17NO/c1-8(13)11-7-12(11)9-4-3-5-10(6-9)14-2/h3-6,8,11-12H,7,13H2,1-2H3/t8-,11+,12+/m1/s1
InChIKeyXCWKUMHYYMEJEJ-ZHAHWJHGSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[2-(3-methoxyphenyl)cyclopropyl]ethanol
CID 43828915
(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079111
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 29079515
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 65022463
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 139707086
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
CID 43150348
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546674

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of (1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine (CID 28912399) is (1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine is COc1cccc([C@@H]2C[C@H]2[C@@H](C)N)c1.
What is the InChIKey of (1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is XCWKUMHYYMEJEJ-ZHAHWJHGSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(13)11-7-12(11)9-4-3-5-10(6-9)14-2/h3-6,8,11-12H,7,13H2,1-2H3/t8-,11+,12+/m1/s1.
What are the key properties of (1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine?
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 28912399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).