1-(5-chlorofuran-2-yl)butan-1-amine

C8H12ClNO — CID 55295199

IUPAC1-(5-chlorofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1ccc(Cl)o1
InChIInChI=1S/C8H12ClNO/c1-2-3-6(10)7-4-5-8(9)11-7/h4-6H,2-3,10H2,1H3
InChIKeyNXHUKVXPEDYSCK-UHFFFAOYSA-N
MW173.64 g/mol
LogP2.73
Rot. Bonds3

About 1-(5-chlorofuran-2-yl)butan-1-amine

1-(5-chlorofuran-2-yl)butan-1-amine (PubChem CID 55295199) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)butan-1-amine
PubChem CID55295199
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name1-(5-chlorofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1ccc(Cl)o1
InChIInChI=1S/C8H12ClNO/c1-2-3-6(10)7-4-5-8(9)11-7/h4-6H,2-3,10H2,1H3
InChIKeyNXHUKVXPEDYSCK-UHFFFAOYSA-N
XLogP2.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
2-amino-2-(5-chlorofuran-2-yl)ethanol
CID 55295388
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
CID 171200029
1-(5-chlorofuran-2-yl)-3-methylbut-3-en-1-amine
CID 106692476
ethyl (3S)-3-amino-3-(5-chlorofuran-2-yl)propanoate
CID 171233148
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
CID 65439823
(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile
CID 130956865
5-(1-aminobutyl)furan-2-carboxylic acid
CID 55292890
1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 106692043
(1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine
CID 55272415
1-amino-1-(5-chlorofuran-2-yl)butan-2-ol
CID 130143451

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)butan-1-amine?
The IUPAC name of 1-(5-chlorofuran-2-yl)butan-1-amine (CID 55295199) is 1-(5-chlorofuran-2-yl)butan-1-amine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)butan-1-amine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)butan-1-amine is CCCC(N)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)butan-1-amine?
The InChIKey is NXHUKVXPEDYSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-2-3-6(10)7-4-5-8(9)11-7/h4-6H,2-3,10H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)butan-1-amine?
1-(5-chlorofuran-2-yl)butan-1-amine has a molecular weight of 173.64 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)butan-1-amine is sourced from PubChem (CID 55295199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).