1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine

C17H16BrNO — CID 105094359

IUPAC1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H16BrNO/c18-14-8-4-7-13-11-16(20-17(13)14)15(19)10-9-12-5-2-1-3-6-12/h1-8,11,15H,9-10,19H2
InChIKeyOKHHKPAHCOZDAY-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.83
Rot. Bonds4

About 1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine

1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine (PubChem CID 105094359) has the molecular formula C17H16BrNO and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
PubChem CID105094359
Molecular FormulaC17H16BrNO
Molecular Weight330.22 g/mol
Exact Mass329.04
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H16BrNO/c18-14-8-4-7-13-11-16(20-17(13)14)15(19)10-9-12-5-2-1-3-6-12/h1-8,11,15H,9-10,19H2
InChIKeyOKHHKPAHCOZDAY-UHFFFAOYSA-N
XLogP4.83
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
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2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid
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1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185601
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097833
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147976
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064475
(7-bromo-1-benzofuran-2-yl)methanamine
CID 61389824
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine (CID 105094359) is 1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine is NC(CCc1ccccc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine?
The InChIKey is OKHHKPAHCOZDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-14-8-4-7-13-11-16(20-17(13)14)15(19)10-9-12-5-2-1-3-6-12/h1-8,11,15H,9-10,19H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine?
1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine has a molecular weight of 330.22 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 105094359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).