2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol

C16H21NO2 — CID 42836985

IUPAC2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
SMILESCCCN(Cc1ccco1)CC(O)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-10-17(12-15-9-6-11-19-15)13-16(18)14-7-4-3-5-8-14/h3-9,11,16,18H,2,10,12-13H2,1H3
InChIKeyPGALDLYREIABQF-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.23
Rot. Bonds7

About 2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol

2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol (PubChem CID 42836985) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
PubChem CID42836985
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
SMILESCCCN(Cc1ccco1)CC(O)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-10-17(12-15-9-6-11-19-15)13-16(18)14-7-4-3-5-8-14/h3-9,11,16,18H,2,10,12-13H2,1H3
InChIKeyPGALDLYREIABQF-UHFFFAOYSA-N
XLogP3.23
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
3-[[2-(3-chlorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]propanenitrile
CID 3854860
2-(dipropylamino)-1-(4-phenylphenyl)ethanol
CID 82215884
3-[furan-2-ylmethyl-(2-hydroxy-3-phenoxypropyl)amino]propanenitrile
CID 3808741
N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193959
(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol
CID 93161280
2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol
CID 111113377
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol?
The IUPAC name of 2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol (CID 42836985) is 2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol is CCCN(Cc1ccco1)CC(O)c1ccccc1.
What is the InChIKey of 2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol?
The InChIKey is PGALDLYREIABQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-10-17(12-15-9-6-11-19-15)13-16(18)14-7-4-3-5-8-14/h3-9,11,16,18H,2,10,12-13H2,1H3.
What are the key properties of 2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol?
2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol has a molecular weight of 259.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol is sourced from PubChem (CID 42836985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).