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

C13H19NO2 — CID 124550908

IUPAC(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cccc([C@@H]2C[C@@H]2[C@H](C)N)c1OC
InChIInChI=1S/C13H19NO2/c1-8(14)10-7-11(10)9-5-4-6-12(15-2)13(9)16-3/h4-6,8,10-11H,7,14H2,1-3H3/t8-,10+,11-/m0/s1
InChIKeyNRMIRCUHNDPXEF-GDPRMGEGSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds4

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

(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine (PubChem CID 124550908) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
PubChem CID124550908
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cccc([C@@H]2C[C@@H]2[C@H](C)N)c1OC
InChIInChI=1S/C13H19NO2/c1-8(14)10-7-11(10)9-5-4-6-12(15-2)13(9)16-3/h4-6,8,10-11H,7,14H2,1-3H3/t8-,10+,11-/m0/s1
InChIKeyNRMIRCUHNDPXEF-GDPRMGEGSA-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-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552585
[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557662
[(1R,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557663
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150374
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
CID 139322901
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
(1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine
CID 124552558
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine (CID 124550908) is (1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine is COc1cccc([C@@H]2C[C@@H]2[C@H](C)N)c1OC.
What is the InChIKey of (1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is NRMIRCUHNDPXEF-GDPRMGEGSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(14)10-7-11(10)9-5-4-6-12(15-2)13(9)16-3/h4-6,8,10-11H,7,14H2,1-3H3/t8-,10+,11-/m0/s1.
What are the key properties of (1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine?
(1S)-1-[(1S,2R)-2-(2,3-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 (1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 124550908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).