2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride

C15H20ClNO2 — CID 6463695

IUPAC2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccc(-c2ccccc2)o1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-13(11-17)16-10-14-8-9-15(18-14)12-6-4-3-5-7-12;/h3-9,13,16-17H,2,10-11H2,1H3;1H
InChIKeyLXWGBUKIDIVKJE-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.23
Rot. Bonds6

About 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride

2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride (PubChem CID 6463695) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
PubChem CID6463695
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccc(-c2ccccc2)o1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-13(11-17)16-10-14-8-9-15(18-14)12-6-4-3-5-7-12;/h3-9,13,16-17H,2,10-11H2,1H3;1H
InChIKeyLXWGBUKIDIVKJE-UHFFFAOYSA-N
XLogP3.23
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603
(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622629
(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622634
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]butan-1-ol
CID 43215803
3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
CID 111436938
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724459
2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724276
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
CID 8621990
(2S)-3-methyl-2-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 95003392
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride?
The IUPAC name of 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride (CID 6463695) is 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride?
The canonical SMILES for 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride is CCC(CO)NCc1ccc(-c2ccccc2)o1.Cl.
What is the InChIKey of 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride?
The InChIKey is LXWGBUKIDIVKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-2-13(11-17)16-10-14-8-9-15(18-14)12-6-4-3-5-7-12;/h3-9,13,16-17H,2,10-11H2,1H3;1H.
What are the key properties of 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride?
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride is sourced from PubChem (CID 6463695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).