2-[(5-bromofuran-2-yl)methylamino]propan-1-ol

C8H12BrNO2 — CID 43499711

IUPAC2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1ccc(Br)o1
InChIInChI=1S/C8H12BrNO2/c1-6(5-11)10-4-7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3
InChIKeyIFSJKMSSLOYJQR-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.51
Rot. Bonds4

About 2-[(5-bromofuran-2-yl)methylamino]propan-1-ol

2-[(5-bromofuran-2-yl)methylamino]propan-1-ol (PubChem CID 43499711) has the molecular formula C8H12BrNO2 and a molecular weight of 234.09 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
PubChem CID43499711
Molecular FormulaC8H12BrNO2
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1ccc(Br)o1
InChIInChI=1S/C8H12BrNO2/c1-6(5-11)10-4-7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3
InChIKeyIFSJKMSSLOYJQR-UHFFFAOYSA-N
XLogP1.51
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]pentan-2-amine
CID 43177748
N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 43181214
(2R)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318256
(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318255
(E,2S)-2-[(5-bromofuran-2-yl)methylamino]hex-4-en-1-ol
CID 99834057
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid
CID 82344547
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43180998
N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43223765
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(5-bromofuran-2-yl)methylamino]propan-1-ol (CID 43499711) is 2-[(5-bromofuran-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methylamino]propan-1-ol is CC(CO)NCc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methylamino]propan-1-ol?
The InChIKey is IFSJKMSSLOYJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2/c1-6(5-11)10-4-7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3.
What are the key properties of 2-[(5-bromofuran-2-yl)methylamino]propan-1-ol?
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol has a molecular weight of 234.09 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 43499711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).