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

C12H17NO2 — CID 94557662

IUPAC[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
SMILESCOc1cccc([C@H]2C[C@@H]2CN)c1OC
InChIInChI=1S/C12H17NO2/c1-14-11-5-3-4-9(12(11)15-2)10-6-8(10)7-13/h3-5,8,10H,6-7,13H2,1-2H3/t8-,10+/m1/s1
InChIKeyUEPSALDSZBPAMV-SCZZXKLOSA-N
MW207.27 g/mol
LogP1.77
Rot. Bonds4

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

[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine (PubChem CID 94557662) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
PubChem CID94557662
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
SMILESCOc1cccc([C@H]2C[C@@H]2CN)c1OC
InChIInChI=1S/C12H17NO2/c1-14-11-5-3-4-9(12(11)15-2)10-6-8(10)7-13/h3-5,8,10H,6-7,13H2,1-2H3/t8-,10+/m1/s1
InChIKeyUEPSALDSZBPAMV-SCZZXKLOSA-N
XLogP1.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557663
1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558377
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
CID 124550908
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
1-[2-(chloromethyl)cyclopropyl]-2,3,4-trimethoxybenzene
CID 81358770
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552585
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
[2-(2-fluoro-3-methoxyphenyl)cyclohexyl]methanamine
CID 82812472
[2-(2-methylindazol-4-yl)cyclopropyl]methanamine
CID 59334507
[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70681343
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
[(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine
CID 70689811

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine (CID 94557662) is [(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine is COc1cccc([C@H]2C[C@@H]2CN)c1OC.
What is the InChIKey of [(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine?
The InChIKey is UEPSALDSZBPAMV-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-11-5-3-4-9(12(11)15-2)10-6-8(10)7-13/h3-5,8,10H,6-7,13H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of [(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine?
[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 94557662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).