1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride

C14H22ClNO3 — CID 52944126

IUPAC1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride
SMILESCCC(=O)c1cc(OC)c(CC(C)N)cc1OC.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-5-12(16)11-8-13(17-3)10(6-9(2)15)7-14(11)18-4;/h7-9H,5-6,15H2,1-4H3;1H
InChIKeyUMTRBSHGPQLTDD-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.61
Rot. Bonds6

About 1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride

1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride (PubChem CID 52944126) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride
PubChem CID52944126
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride
SMILESCCC(=O)c1cc(OC)c(CC(C)N)cc1OC.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-5-12(16)11-8-13(17-3)10(6-9(2)15)7-14(11)18-4;/h7-9H,5-6,15H2,1-4H3;1H
InChIKeyUMTRBSHGPQLTDD-UHFFFAOYSA-N
XLogP2.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride?
The IUPAC name of 1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride (CID 52944126) is 1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride is CCC(=O)c1cc(OC)c(CC(C)N)cc1OC.Cl.
What is the InChIKey of 1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride?
The InChIKey is UMTRBSHGPQLTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-5-12(16)11-8-13(17-3)10(6-9(2)15)7-14(11)18-4;/h7-9H,5-6,15H2,1-4H3;1H.
What are the key properties of 1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride?
1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 52944126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).