3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol

C15H19NO2 — CID 111436938

IUPAC3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H19NO2/c1-12(9-10-17)16-11-14-7-8-15(18-14)13-5-3-2-4-6-13/h2-8,12,16-17H,9-11H2,1H3
InChIKeyJSYSOQPGPVMKSM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.81
Rot. Bonds6

About 3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol

3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol (PubChem CID 111436938) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
PubChem CID111436938
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H19NO2/c1-12(9-10-17)16-11-14-7-8-15(18-14)13-5-3-2-4-6-13/h2-8,12,16-17H,9-11H2,1H3
InChIKeyJSYSOQPGPVMKSM-UHFFFAOYSA-N
XLogP2.81
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
CID 8621990
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
CID 6463695
(2S)-3-methyl-2-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 95003392
(2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid
CID 95003395
3-[(4-phenylphenyl)methylamino]butan-1-ol
CID 78998247
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211431
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
(1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
CID 8621893

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol (CID 111436938) is 3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol is CC(CCO)NCc1ccc(-c2ccccc2)o1.
What is the InChIKey of 3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol?
The InChIKey is JSYSOQPGPVMKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12(9-10-17)16-11-14-7-8-15(18-14)13-5-3-2-4-6-13/h2-8,12,16-17H,9-11H2,1H3.
What are the key properties of 3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol?
3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 111436938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).