1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride

C11H18ClNO2 — CID 22669212

IUPAC1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
SMILESCCC(N)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3;/h5-7,9H,4,12H2,1-3H3;1H
InChIKeySEUUTSPOQSQOPW-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.54
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride

1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 22669212) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
PubChem CID22669212
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
SMILESCCC(N)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3;/h5-7,9H,4,12H2,1-3H3;1H
InChIKeySEUUTSPOQSQOPW-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(1S)-1-(3,4-dimethoxyphenyl)but-3-en-1-amine
CID 11521312
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
1-(3,4-dimethoxyphenyl)-2-ethylsulfonylethanamine
CID 64645587
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride (CID 22669212) is 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride is CCC(N)c1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is SEUUTSPOQSQOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3;/h5-7,9H,4,12H2,1-3H3;1H.
What are the key properties of 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride?
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 22669212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).