2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride

C11H18ClNO2 — CID 3029784

IUPAC2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1cccc(C(C)CN)c1OC.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-8(7-12)9-5-4-6-10(13-2)11(9)14-3;/h4-6,8H,7,12H2,1-3H3;1H
InChIKeyZCVJXVAYCPGECR-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.19
Rot. Bonds4

About 2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride

2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 3029784) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
PubChem CID3029784
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1cccc(C(C)CN)c1OC.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-8(7-12)9-5-4-6-10(13-2)11(9)14-3;/h4-6,8H,7,12H2,1-3H3;1H
InChIKeyZCVJXVAYCPGECR-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84667736
3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
CID 12814074
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-amine
CID 117330427
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of 2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride (CID 3029784) is 2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride is COc1cccc(C(C)CN)c1OC.Cl.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is ZCVJXVAYCPGECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-8(7-12)9-5-4-6-10(13-2)11(9)14-3;/h4-6,8H,7,12H2,1-3H3;1H.
What are the key properties of 2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride?
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 3029784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).