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

C12H17NO2 — CID 82611087

IUPAC[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
SMILESCOc1cccc(C2(CN)CC2)c1OC
InChIInChI=1S/C12H17NO2/c1-14-10-5-3-4-9(11(10)15-2)12(8-13)6-7-12/h3-5H,6-8,13H2,1-2H3
InChIKeyUPKCBZBVNOXISB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.69
Rot. Bonds4

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

[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine (PubChem CID 82611087) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
PubChem CID82611087
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
SMILESCOc1cccc(C2(CN)CC2)c1OC
InChIInChI=1S/C12H17NO2/c1-14-10-5-3-4-9(11(10)15-2)12(8-13)6-7-12/h3-5H,6-8,13H2,1-2H3
InChIKeyUPKCBZBVNOXISB-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Homoveratrylamine
CID 8421
2,5-Dimethoxy-4-methylphenethylamine
CID 135740
4-Ethyl-2,5-dimethoxy-beta-phenethylamine
CID 24729233
2,5-Dimethoxyphenethylamine
CID 76632
N-Methylhomoveratrylamine
CID 77039
Veratrylamine
CID 79832
(+-)-3,4-Dimethoxyamphetamine
CID 8423
alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile
CID 161569
2,5-Dimethoxy-4-propylphenethylamine
CID 44350080
2,3-Dimethoxybenzylamine
CID 78106
Homoveratrylamine hydrochloride
CID 71555
3,4-dimethoxy-N-methylphenethylamine hydrochloride
CID 197910

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine (CID 82611087) is [1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine is COc1cccc(C2(CN)CC2)c1OC.
What is the InChIKey of [1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine?
The InChIKey is UPKCBZBVNOXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-10-5-3-4-9(11(10)15-2)12(8-13)6-7-12/h3-5H,6-8,13H2,1-2H3.
What are the key properties of [1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine?
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 82611087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).