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

C18H25NO2 — CID 104531149

IUPAC3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H25NO2/c1-3-14(4-2)16(20)13-19-18(17-11-8-12-21-17)15-9-6-5-7-10-15/h5-12,14,16,18-20H,3-4,13H2,1-2H3
InChIKeyVNCJRTRALIVYIP-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.76
Rot. Bonds8

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

3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol (PubChem CID 104531149) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol
PubChem CID104531149
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H25NO2/c1-3-14(4-2)16(20)13-19-18(17-11-8-12-21-17)15-9-6-5-7-10-15/h5-12,14,16,18-20H,3-4,13H2,1-2H3
InChIKeyVNCJRTRALIVYIP-UHFFFAOYSA-N
XLogP3.76
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.76
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
3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
CID 104531232
1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
CID 64919705
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[furan-2-yl(phenyl)methyl]prop-2-en-1-amine
CID 43177085
2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511
1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454135
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol (CID 104531149) is 3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol is CCC(CC)C(O)CNC(c1ccccc1)c1ccco1.
What is the InChIKey of 3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol?
The InChIKey is VNCJRTRALIVYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-14(4-2)16(20)13-19-18(17-11-8-12-21-17)15-9-6-5-7-10-15/h5-12,14,16,18-20H,3-4,13H2,1-2H3.
What are the key properties of 3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol?
3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol has a molecular weight of 287.40 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol is sourced from PubChem (CID 104531149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).