2-(2-bromo-1-benzofuran-5-yl)propan-1-amine

C11H12BrNO — CID 83900835

IUPAC2-(2-bromo-1-benzofuran-5-yl)propan-1-amine
SMILESCC(CN)c1ccc2oc(Br)cc2c1
InChIInChI=1S/C11H12BrNO/c1-7(6-13)8-2-3-10-9(4-8)5-11(12)14-10/h2-5,7H,6,13H2,1H3
InChIKeyRKBRRUCXMUZPNP-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.26
Rot. Bonds2

About 2-(2-bromo-1-benzofuran-5-yl)propan-1-amine

2-(2-bromo-1-benzofuran-5-yl)propan-1-amine (PubChem CID 83900835) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(2-bromo-1-benzofuran-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-1-benzofuran-5-yl)propan-1-amine
PubChem CID83900835
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-(2-bromo-1-benzofuran-5-yl)propan-1-amine
SMILESCC(CN)c1ccc2oc(Br)cc2c1
InChIInChI=1S/C11H12BrNO/c1-7(6-13)8-2-3-10-9(4-8)5-11(12)14-10/h2-5,7H,6,13H2,1H3
InChIKeyRKBRRUCXMUZPNP-UHFFFAOYSA-N
XLogP3.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-butan-2-yl-1-benzofuran-2-yl)methanamine
CID 107668317
2-(3-bromo-1-benzofuran-5-yl)propan-1-amine
CID 117388117
5-(1-aminopropan-2-yl)-2-bromoaniline
CID 84692433
2-(2-bromo-1-benzofuran-5-yl)ethanamine
CID 83898777
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine
CID 83902804
5-butan-2-yl-1-benzofuran-2-carboxamide
CID 155041385
2-(1,2-benzoxazol-6-yl)propan-1-amine
CID 82599064
2-quinolin-6-ylpropan-1-amine
CID 79002101
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
5-(1-aminopropan-2-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117340798
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1-benzofuran-5-yl)propan-1-amine?
The IUPAC name of 2-(2-bromo-1-benzofuran-5-yl)propan-1-amine (CID 83900835) is 2-(2-bromo-1-benzofuran-5-yl)propan-1-amine.
What is the SMILES notation for 2-(2-bromo-1-benzofuran-5-yl)propan-1-amine?
The canonical SMILES for 2-(2-bromo-1-benzofuran-5-yl)propan-1-amine is CC(CN)c1ccc2oc(Br)cc2c1.
What is the InChIKey of 2-(2-bromo-1-benzofuran-5-yl)propan-1-amine?
The InChIKey is RKBRRUCXMUZPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-7(6-13)8-2-3-10-9(4-8)5-11(12)14-10/h2-5,7H,6,13H2,1H3.
What are the key properties of 2-(2-bromo-1-benzofuran-5-yl)propan-1-amine?
2-(2-bromo-1-benzofuran-5-yl)propan-1-amine has a molecular weight of 254.13 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1-benzofuran-5-yl)propan-1-amine is sourced from PubChem (CID 83900835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).