4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol

C16H21NO2 — CID 111449854

IUPAC4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol
SMILESCc1ccc(CNC(CCCO)c2ccccc2)o1
InChIInChI=1S/C16H21NO2/c1-13-9-10-15(19-13)12-17-16(8-5-11-18)14-6-3-2-4-7-14/h2-4,6-7,9-10,16-18H,5,8,11-12H2,1H3
InChIKeyYVTNOWLYVIGZGY-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.19
Rot. Bonds7

About 4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol

4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol (PubChem CID 111449854) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol
PubChem CID111449854
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol
SMILESCc1ccc(CNC(CCCO)c2ccccc2)o1
InChIInChI=1S/C16H21NO2/c1-13-9-10-15(19-13)12-17-16(8-5-11-18)14-6-3-2-4-7-14/h2-4,6-7,9-10,16-18H,5,8,11-12H2,1H3
InChIKeyYVTNOWLYVIGZGY-UHFFFAOYSA-N
XLogP3.19
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile
CID 111467263
3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
CID 60961509
4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol
CID 111449763
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
(1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol
CID 112742110
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol
CID 111467260
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 781905
4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide
CID 111449752
3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 62879092
4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449850
4-[(2-chloro-3-pyridinyl)methylamino]-4-phenylbutan-1-ol
CID 111449772

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol?
The IUPAC name of 4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol (CID 111449854) is 4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol.
What is the SMILES notation for 4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol?
The canonical SMILES for 4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol is Cc1ccc(CNC(CCCO)c2ccccc2)o1.
What is the InChIKey of 4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol?
The InChIKey is YVTNOWLYVIGZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13-9-10-15(19-13)12-17-16(8-5-11-18)14-6-3-2-4-7-14/h2-4,6-7,9-10,16-18H,5,8,11-12H2,1H3.
What are the key properties of 4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol?
4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol is sourced from PubChem (CID 111449854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).