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

C13H19NO2 — CID 94558377

IUPAC1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H]1c1cccc(OC)c1OC
InChIInChI=1S/C13H19NO2/c1-14-8-9-7-11(9)10-5-4-6-12(15-2)13(10)16-3/h4-6,9,11,14H,7-8H2,1-3H3/t9-,11-/m0/s1
InChIKeyVGQQRYRFCGMFFP-ONGXEEELSA-N
MW221.30 g/mol
LogP2.03
Rot. Bonds5

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

1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 94558377) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
PubChem CID94558377
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H]1c1cccc(OC)c1OC
InChIInChI=1S/C13H19NO2/c1-14-8-9-7-11(9)10-5-4-6-12(15-2)13(10)16-3/h4-6,9,11,14H,7-8H2,1-3H3/t9-,11-/m0/s1
InChIKeyVGQQRYRFCGMFFP-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

Homoveratrylamine
CID 8421
3,4-Dimethoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)benzeneacetonitrile
CID 93168
N-Methylhomoveratrylamine
CID 77039
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
(+-)-3,4-Dimethoxyamphetamine
CID 8423
N-Methylmescaline
CID 138365
3,4-dimethoxy-N-methylphenethylamine hydrochloride
CID 197910
N-(2-(3,4-Dimethoxyphenyl)ethyl)urea
CID 95288
n-[2-(3,4-Dimethoxyphenyl)ethyl]propanamide
CID 234679
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 795486
N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide
CID 871142
2,3-Dimethoxyamphetamine
CID 91255

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine (CID 94558377) is 1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine is CNC[C@@H]1C[C@@H]1c1cccc(OC)c1OC.
What is the InChIKey of 1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is VGQQRYRFCGMFFP-ONGXEEELSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-8-9-7-11(9)10-5-4-6-12(15-2)13(10)16-3/h4-6,9,11,14H,7-8H2,1-3H3/t9-,11-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine?
1-[(1R,2S)-2-(2,3-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-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 94558377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).