(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine

C14H21NO3 — CID 124552560

IUPAC(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(OC)c([C@@H]2C[C@H]2[C@H](C)N)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-8(15)10-7-11(10)14-12(17-3)5-9(16-2)6-13(14)18-4/h5-6,8,10-11H,7,15H2,1-4H3/t8-,10-,11+/m0/s1
InChIKeyDWPAOPGTQTXRQL-INTQDDNPSA-N
MW251.33 g/mol
LogP2.16
Rot. Bonds5

About (1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine

(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine (PubChem CID 124552560) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine
PubChem CID124552560
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(OC)c([C@@H]2C[C@H]2[C@H](C)N)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-8(15)10-7-11(10)14-12(17-3)5-9(16-2)6-13(14)18-4/h5-6,8,10-11H,7,15H2,1-4H3/t8-,10-,11+/m0/s1
InChIKeyDWPAOPGTQTXRQL-INTQDDNPSA-N
XLogP2.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079111
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
(1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine
CID 124552558
1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 65022463
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
CID 124550908
2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine
CID 83154373
(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine
CID 29079485
N-[(2-methylcyclopropyl)-(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 43490270
5,7-dimethoxy-1H-inden-1-amine
CID 82158129
(1S)-1-[(1R,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552588

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine (CID 124552560) is (1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine is COc1cc(OC)c([C@@H]2C[C@H]2[C@H](C)N)c(OC)c1.
What is the InChIKey of (1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is DWPAOPGTQTXRQL-INTQDDNPSA-N. The full InChI is InChI=1S/C14H21NO3/c1-8(15)10-7-11(10)14-12(17-3)5-9(16-2)6-13(14)18-4/h5-6,8,10-11H,7,15H2,1-4H3/t8-,10-,11+/m0/s1.
What are the key properties of (1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine?
(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 124552560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).