1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride

C15H17BrClNO2 — CID 19908532

IUPAC1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1ccc(-c2cccc(Br)c2)o1.Cl
InChIInChI=1S/C15H16BrNO2.ClH/c1-17(2)9-8-13(18)15-7-6-14(19-15)11-4-3-5-12(16)10-11;/h3-7,10H,8-9H2,1-2H3;1H
InChIKeyDDYIRTDHQXWUGT-UHFFFAOYSA-N
MW358.66 g/mol
LogP4.27
Rot. Bonds5

About 1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride

1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride (PubChem CID 19908532) has the molecular formula C15H17BrClNO2 and a molecular weight of 358.66 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride
PubChem CID19908532
Molecular FormulaC15H17BrClNO2
Molecular Weight358.66 g/mol
Exact Mass357.01
IUPAC Name1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1ccc(-c2cccc(Br)c2)o1.Cl
InChIInChI=1S/C15H16BrNO2.ClH/c1-17(2)9-8-13(18)15-7-6-14(19-15)11-4-3-5-12(16)10-11;/h3-7,10H,8-9H2,1-2H3;1H
InChIKeyDDYIRTDHQXWUGT-UHFFFAOYSA-N
XLogP4.27
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride (CID 19908532) is 1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride is CN(C)CCC(=O)c1ccc(-c2cccc(Br)c2)o1.Cl.
What is the InChIKey of 1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride?
The InChIKey is DDYIRTDHQXWUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2.ClH/c1-17(2)9-8-13(18)15-7-6-14(19-15)11-4-3-5-12(16)10-11;/h3-7,10H,8-9H2,1-2H3;1H.
What are the key properties of 1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride?
1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride has a molecular weight of 358.66 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)furan-2-yl]-3-(dimethylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 19908532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).