1-(furan-2-yl)butan-1-amine;hydrochloride

C8H14ClNO — CID 86262899

IUPAC1-(furan-2-yl)butan-1-amine;hydrochloride
SMILESCCCC(N)c1ccco1.Cl
InChIInChI=1S/C8H13NO.ClH/c1-2-4-7(9)8-5-3-6-10-8;/h3,5-7H,2,4,9H2,1H3;1H
InChIKeyFQYWSYDFZGRDHO-UHFFFAOYSA-N
MW175.66 g/mol
LogP2.50
Rot. Bonds3

About 1-(furan-2-yl)butan-1-amine;hydrochloride

1-(furan-2-yl)butan-1-amine;hydrochloride (PubChem CID 86262899) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 1-(furan-2-yl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(furan-2-yl)butan-1-amine;hydrochloride
PubChem CID86262899
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name1-(furan-2-yl)butan-1-amine;hydrochloride
SMILESCCCC(N)c1ccco1.Cl
InChIInChI=1S/C8H13NO.ClH/c1-2-4-7(9)8-5-3-6-10-8;/h3,5-7H,2,4,9H2,1H3;1H
InChIKeyFQYWSYDFZGRDHO-UHFFFAOYSA-N
XLogP2.50
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride
CID 171231726
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034
(4S)-4-amino-4-(furan-2-yl)butan-1-ol
CID 131230101
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
2-amino-2-(furan-2-yl)ethanol
CID 54048773
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139
2-(aminomethyl)-1-(furan-2-yl)pentan-1-ol
CID 79412972
(5S)-5-amino-5-(furan-2-yl)pentanoic acid
CID 55264220

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)butan-1-amine;hydrochloride?
The IUPAC name of 1-(furan-2-yl)butan-1-amine;hydrochloride (CID 86262899) is 1-(furan-2-yl)butan-1-amine;hydrochloride.
What is the SMILES notation for 1-(furan-2-yl)butan-1-amine;hydrochloride?
The canonical SMILES for 1-(furan-2-yl)butan-1-amine;hydrochloride is CCCC(N)c1ccco1.Cl.
What is the InChIKey of 1-(furan-2-yl)butan-1-amine;hydrochloride?
The InChIKey is FQYWSYDFZGRDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c1-2-4-7(9)8-5-3-6-10-8;/h3,5-7H,2,4,9H2,1H3;1H.
What are the key properties of 1-(furan-2-yl)butan-1-amine;hydrochloride?
1-(furan-2-yl)butan-1-amine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)butan-1-amine;hydrochloride is sourced from PubChem (CID 86262899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).