(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine

C11H15NO2 — CID 171218765

IUPAC(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1cccc(OC)c1OC
InChIInChI=1S/C11H15NO2/c1-4-9(12)8-6-5-7-10(13-2)11(8)14-3/h4-7,9H,1,12H2,2-3H3/t9-/m0/s1
InChIKeyVHAINPQWIQMEQU-VIFPVBQESA-N
MW193.25 g/mol
LogP1.89
Rot. Bonds4

About (1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine

(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine (PubChem CID 171218765) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
PubChem CID171218765
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1cccc(OC)c1OC
InChIInChI=1S/C11H15NO2/c1-4-9(12)8-6-5-7-10(13-2)11(8)14-3/h4-7,9H,1,12H2,2-3H3/t9-/m0/s1
InChIKeyVHAINPQWIQMEQU-VIFPVBQESA-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-(3-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 55270391
(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine
CID 55278131
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(1S)-1-(2,3-dimethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66510258
1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine
CID 66780613
1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 55282422
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine (CID 171218765) is (1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine is C=C[C@H](N)c1cccc(OC)c1OC.
What is the InChIKey of (1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine?
The InChIKey is VHAINPQWIQMEQU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-9(12)8-6-5-7-10(13-2)11(8)14-3/h4-7,9H,1,12H2,2-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine?
(1S)-1-(2,3-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 (1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 171218765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).