(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine

C11H15NO2 — CID 55278131

IUPAC(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1c(OC)cccc1OC
InChIInChI=1S/C11H15NO2/c1-4-8(12)11-9(13-2)6-5-7-10(11)14-3/h4-8H,1,12H2,2-3H3/t8-/m1/s1
InChIKeyXPXZIQLVBNMUGK-MRVPVSSYSA-N
MW193.25 g/mol
LogP1.89
Rot. Bonds4

About (1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine

(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine (PubChem CID 55278131) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine
PubChem CID55278131
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1c(OC)cccc1OC
InChIInChI=1S/C11H15NO2/c1-4-8(12)11-9(13-2)6-5-7-10(11)14-3/h4-8H,1,12H2,2-3H3/t8-/m1/s1
InChIKeyXPXZIQLVBNMUGK-MRVPVSSYSA-N
XLogP1.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
CID 171218765
1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
CID 115814673
(1S)-1-(2,6-dimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171220704
(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171215724
2-[(1S)-1-aminobut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171235923
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 55282422
2-[(1S)-1-aminopent-4-enyl]-3-methoxyphenol
CID 171235946
(1R)-1-(3-methoxyphenyl)prop-2-en-1-amine
CID 55278128
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine (CID 55278131) is (1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine is C=C[C@@H](N)c1c(OC)cccc1OC.
What is the InChIKey of (1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine?
The InChIKey is XPXZIQLVBNMUGK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-8(12)11-9(13-2)6-5-7-10(11)14-3/h4-8H,1,12H2,2-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine?
(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine has a molecular weight of 193.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 55278131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).