1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine

C13H19NO2 — CID 94558417

IUPAC1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C13H19NO2/c1-14-8-9-6-11(9)12-7-10(15-2)4-5-13(12)16-3/h4-5,7,9,11,14H,6,8H2,1-3H3/t9-,11-/m0/s1
InChIKeyPJAWTBPNBFIOAB-ONGXEEELSA-N
MW221.30 g/mol
LogP2.03
Rot. Bonds5

About 1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine

1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 94558417) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
PubChem CID94558417
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C13H19NO2/c1-14-8-9-6-11(9)12-7-10(15-2)4-5-13(12)16-3/h4-5,7,9,11,14H,6,8H2,1-3H3/t9-,11-/m0/s1
InChIKeyPJAWTBPNBFIOAB-ONGXEEELSA-N
XLogP2.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558393
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558377
1-[(1S,8S,9R,11S)-11-(4-methoxyphenyl)-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]-N-methylmethanamine
CID 177417495
N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81023713
1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 82782631
1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81016874
N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81027759
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine
CID 115350069
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81033094
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine (CID 94558417) is 1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine is CNC[C@@H]1C[C@@H]1c1cc(OC)ccc1OC.
What is the InChIKey of 1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is PJAWTBPNBFIOAB-ONGXEEELSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-8-9-6-11(9)12-7-10(15-2)4-5-13(12)16-3/h4-5,7,9,11,14H,6,8H2,1-3H3/t9-,11-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine?
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 94558417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).