[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride

C9H16ClNO2 — CID 171231073

IUPAC[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
SMILESCCC[C@H](N)c1ccc(CO)o1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-2-3-8(10)9-5-4-7(6-11)12-9;/h4-5,8,11H,2-3,6,10H2,1H3;1H/t8-;/m0./s1
InChIKeyDJKVBEPXYLXODB-QRPNPIFTSA-N
MW205.68 g/mol
LogP1.99
Rot. Bonds4

About [5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride

[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride (PubChem CID 171231073) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is [5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
PubChem CID171231073
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
SMILESCCC[C@H](N)c1ccc(CO)o1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-2-3-8(10)9-5-4-7(6-11)12-9;/h4-5,8,11H,2-3,6,10H2,1H3;1H/t8-;/m0./s1
InChIKeyDJKVBEPXYLXODB-QRPNPIFTSA-N
XLogP1.99
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
CID 171231063
[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
CID 171231086
(1R)-1-(5-ethylfuran-2-yl)pentan-1-amine;hydrochloride
CID 171213544
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
CID 171200029
[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride
CID 171211482
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526
[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
CID 171250266
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213556
(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 171233167
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
5-(1-aminobutyl)furan-2-carboxylic acid
CID 55292890

Frequently Asked Questions

What is the IUPAC name of [5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride?
The IUPAC name of [5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride (CID 171231073) is [5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride.
What is the SMILES notation for [5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride?
The canonical SMILES for [5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride is CCC[C@H](N)c1ccc(CO)o1.Cl.
What is the InChIKey of [5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride?
The InChIKey is DJKVBEPXYLXODB-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-2-3-8(10)9-5-4-7(6-11)12-9;/h4-5,8,11H,2-3,6,10H2,1H3;1H/t8-;/m0./s1.
What are the key properties of [5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride?
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride is sourced from PubChem (CID 171231073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).