1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride

C15H20ClNO2 — CID 6602911

IUPAC1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
SMILESCOc1ccc(C(N)CCc2ccc(C)o2)cc1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-11-3-6-14(18-11)9-10-15(16)12-4-7-13(17-2)8-5-12;/h3-8,15H,9-10,16H2,1-2H3;1H
InChIKeyLTIMGHGBVGIOFZ-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride

1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride (PubChem CID 6602911) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
PubChem CID6602911
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
SMILESCOc1ccc(C(N)CCc2ccc(C)o2)cc1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-11-3-6-14(18-11)9-10-15(16)12-4-7-13(17-2)8-5-12;/h3-8,15H,9-10,16H2,1-2H3;1H
InChIKeyLTIMGHGBVGIOFZ-UHFFFAOYSA-N
XLogP3.65
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride (CID 6602911) is 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride is COc1ccc(C(N)CCc2ccc(C)o2)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride?
The InChIKey is LTIMGHGBVGIOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-11-3-6-14(18-11)9-10-15(16)12-4-7-13(17-2)8-5-12;/h3-8,15H,9-10,16H2,1-2H3;1H.
What are the key properties of 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride?
1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 6602911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).