(1R)-1-(3,4-dimethoxyphenyl)ethanamine

C10H15NO2 — CID 793783

IUPAC(1R)-1-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)N)cc1OC
InChIInChI=1S/C10H15NO2/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-7H,11H2,1-3H3/t7-/m1/s1
InChIKeyOEPFPKVWOOSTBV-SSDOTTSWSA-N
MW181.23 g/mol
LogP1.72
Rot. Bonds3

About (1R)-1-(3,4-dimethoxyphenyl)ethanamine

(1R)-1-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 793783) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3,4-dimethoxyphenyl)ethanamine
PubChem CID793783
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(1R)-1-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)N)cc1OC
InChIInChI=1S/C10H15NO2/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-7H,11H2,1-3H3/t7-/m1/s1
InChIKeyOEPFPKVWOOSTBV-SSDOTTSWSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)ethanamine (CID 793783) is (1R)-1-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3,4-dimethoxyphenyl)ethanamine is COc1ccc([C@@H](C)N)cc1OC.
What is the InChIKey of (1R)-1-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is OEPFPKVWOOSTBV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-7H,11H2,1-3H3/t7-/m1/s1.
What are the key properties of (1R)-1-(3,4-dimethoxyphenyl)ethanamine?
(1R)-1-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 181.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 793783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).