2-(3-bromo-1-benzofuran-5-yl)propan-1-amine

C11H12BrNO — CID 117388117

IUPAC2-(3-bromo-1-benzofuran-5-yl)propan-1-amine
SMILESCC(CN)c1ccc2occ(Br)c2c1
InChIInChI=1S/C11H12BrNO/c1-7(5-13)8-2-3-11-9(4-8)10(12)6-14-11/h2-4,6-7H,5,13H2,1H3
InChIKeyJHCRWEPWJLUNLV-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.26
Rot. Bonds2

About 2-(3-bromo-1-benzofuran-5-yl)propan-1-amine

2-(3-bromo-1-benzofuran-5-yl)propan-1-amine (PubChem CID 117388117) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(3-bromo-1-benzofuran-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-1-benzofuran-5-yl)propan-1-amine
PubChem CID117388117
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-(3-bromo-1-benzofuran-5-yl)propan-1-amine
SMILESCC(CN)c1ccc2occ(Br)c2c1
InChIInChI=1S/C11H12BrNO/c1-7(5-13)8-2-3-11-9(4-8)10(12)6-14-11/h2-4,6-7H,5,13H2,1H3
InChIKeyJHCRWEPWJLUNLV-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-(1-aminopropan-2-yl)-2-bromoaniline
CID 84692433
2-(2-bromo-1-benzofuran-5-yl)propan-1-amine
CID 83900835
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
2-(3-bromo-4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 105424731
N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine
CID 107669328
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
2-(2-bromo-4-pyridinyl)propan-1-amine
CID 87304996
3-bromo-5-ethenyl-1-benzofuran
CID 130050465
2-(1,2-benzoxazol-6-yl)propan-1-amine
CID 82599064
5-(1-aminopropan-2-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117340798
1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
CID 116934253
5-(1-aminopropan-2-yl)-2-chloroaniline
CID 84659886

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-benzofuran-5-yl)propan-1-amine?
The IUPAC name of 2-(3-bromo-1-benzofuran-5-yl)propan-1-amine (CID 117388117) is 2-(3-bromo-1-benzofuran-5-yl)propan-1-amine.
What is the SMILES notation for 2-(3-bromo-1-benzofuran-5-yl)propan-1-amine?
The canonical SMILES for 2-(3-bromo-1-benzofuran-5-yl)propan-1-amine is CC(CN)c1ccc2occ(Br)c2c1.
What is the InChIKey of 2-(3-bromo-1-benzofuran-5-yl)propan-1-amine?
The InChIKey is JHCRWEPWJLUNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-7(5-13)8-2-3-11-9(4-8)10(12)6-14-11/h2-4,6-7H,5,13H2,1H3.
What are the key properties of 2-(3-bromo-1-benzofuran-5-yl)propan-1-amine?
2-(3-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-(3-bromo-1-benzofuran-5-yl)propan-1-amine is sourced from PubChem (CID 117388117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).