(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine

C13H19NO2 — CID 29079111

IUPAC(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(OC)cc([C@H]2C[C@@H]2[C@@H](C)N)c1
InChIInChI=1S/C13H19NO2/c1-8(14)12-7-13(12)9-4-10(15-2)6-11(5-9)16-3/h4-6,8,12-13H,7,14H2,1-3H3/t8-,12-,13-/m1/s1
InChIKeySCBRMCDRXPTYCI-BZHVJNSISA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds4

About (1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine

(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine (PubChem CID 29079111) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine
PubChem CID29079111
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(OC)cc([C@H]2C[C@@H]2[C@@H](C)N)c1
InChIInChI=1S/C13H19NO2/c1-8(14)12-7-13(12)9-4-10(15-2)6-11(5-9)16-3/h4-6,8,12-13H,7,14H2,1-3H3/t8-,12-,13-/m1/s1
InChIKeySCBRMCDRXPTYCI-BZHVJNSISA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[(1R,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552588
(1R)-1-[(1S,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124669183
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine
CID 124552560
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 65022463
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(1S)-1-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 29079367
1-[2-(3-methoxyphenyl)cyclopropyl]ethanol
CID 43828915
(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 124744909
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of (1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine (CID 29079111) is (1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine is COc1cc(OC)cc([C@H]2C[C@@H]2[C@@H](C)N)c1.
What is the InChIKey of (1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is SCBRMCDRXPTYCI-BZHVJNSISA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(14)12-7-13(12)9-4-10(15-2)6-11(5-9)16-3/h4-6,8,12-13H,7,14H2,1-3H3/t8-,12-,13-/m1/s1.
What are the key properties of (1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine?
(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 29079111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).