1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine

C12H14BrNO — CID 117194801

IUPAC1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1coc2cccc(Br)c12
InChIInChI=1S/C12H14BrNO/c1-8(14-2)6-9-7-15-11-5-3-4-10(13)12(9)11/h3-5,7-8,14H,6H2,1-2H3
InChIKeyAYVHKSPYBMIEKP-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.35
Rot. Bonds3

About 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine

1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine (PubChem CID 117194801) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine
PubChem CID117194801
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1coc2cccc(Br)c12
InChIInChI=1S/C12H14BrNO/c1-8(14-2)6-9-7-15-11-5-3-4-10(13)12(9)11/h3-5,7-8,14H,6H2,1-2H3
InChIKeyAYVHKSPYBMIEKP-UHFFFAOYSA-N
XLogP3.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117194797
(4-bromo-1-benzofuran-3-yl)methanol
CID 84690895
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
1-(4-chloro-1-benzofuran-3-yl)propan-2-amine
CID 117119159
2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117170357
2-(4-bromo-1-benzofuran-3-yl)propanoic acid
CID 117119174
1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride
CID 132988801
1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine
CID 84738148
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
3-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119182
1-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115078997

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine (CID 117194801) is 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine is CNC(C)Cc1coc2cccc(Br)c12.
What is the InChIKey of 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine?
The InChIKey is AYVHKSPYBMIEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(14-2)6-9-7-15-11-5-3-4-10(13)12(9)11/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine?
1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine has a molecular weight of 268.15 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117194801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).