1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol

C16H23NO3 — CID 24713749

IUPAC1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol
SMILESCCCC(O)CN(Cc1ccco1)Cc1ccc(C)o1
InChIInChI=1S/C16H23NO3/c1-3-5-14(18)10-17(11-15-6-4-9-19-15)12-16-8-7-13(2)20-16/h4,6-9,14,18H,3,5,10-12H2,1-2H3
InChIKeyOPOFAYRYPFSDGK-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.34
Rot. Bonds8

About 1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol

1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol (PubChem CID 24713749) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol.

Molecular Properties

Compound Name1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol
PubChem CID24713749
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol
SMILESCCCC(O)CN(Cc1ccco1)Cc1ccc(C)o1
InChIInChI=1S/C16H23NO3/c1-3-5-14(18)10-17(11-15-6-4-9-19-15)12-16-8-7-13(2)20-16/h4,6-9,14,18H,3,5,10-12H2,1-2H3
InChIKeyOPOFAYRYPFSDGK-UHFFFAOYSA-N
XLogP3.34
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93161795
1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24713310
(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol
CID 93161280
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
(2S)-1-[[(2R)-butan-2-yl]-[(5-methylfuran-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93161856
(2S)-1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]pentan-2-ol
CID 93219945
(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161816
1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61423306
(2S)-1-[furan-2-ylmethyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161246
1-[3-methylbutyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-2-ol
CID 46007121
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2502652

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol?
The IUPAC name of 1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol (CID 24713749) is 1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol.
What is the SMILES notation for 1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol?
The canonical SMILES for 1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol is CCCC(O)CN(Cc1ccco1)Cc1ccc(C)o1.
What is the InChIKey of 1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol?
The InChIKey is OPOFAYRYPFSDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-5-14(18)10-17(11-15-6-4-9-19-15)12-16-8-7-13(2)20-16/h4,6-9,14,18H,3,5,10-12H2,1-2H3.
What are the key properties of 1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol?
1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol has a molecular weight of 277.36 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol is sourced from PubChem (CID 24713749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).