3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol

C16H21NO2 — CID 104531232

IUPAC3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
SMILESCCC(CCO)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C16H21NO2/c1-2-14(10-11-18)17-16(15-9-6-12-19-15)13-7-4-3-5-8-13/h3-9,12,14,16-18H,2,10-11H2,1H3
InChIKeyJYQGCJFCBGIAFK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.12
Rot. Bonds7

About 3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol

3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol (PubChem CID 104531232) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
PubChem CID104531232
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
SMILESCCC(CCO)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C16H21NO2/c1-2-14(10-11-18)17-16(15-9-6-12-19-15)13-7-4-3-5-8-13/h3-9,12,14,16-18H,2,10-11H2,1H3
InChIKeyJYQGCJFCBGIAFK-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569
N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine
CID 106226699
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
CID 64919705
3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol
CID 104531149
ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate
CID 53342756
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol
CID 106156673
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511
(2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol
CID 104980626

Frequently Asked Questions

What is the IUPAC name of 3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol?
The IUPAC name of 3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol (CID 104531232) is 3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol?
The canonical SMILES for 3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol is CCC(CCO)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol?
The InChIKey is JYQGCJFCBGIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-14(10-11-18)17-16(15-9-6-12-19-15)13-7-4-3-5-8-13/h3-9,12,14,16-18H,2,10-11H2,1H3.
What are the key properties of 3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol?
3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 104531232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).