2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol

C14H25NO4 — CID 61245995

IUPAC2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCC(O)COCc1ccco1
InChIInChI=1S/C14H25NO4/c1-11(2)6-12(8-16)15-7-13(17)9-18-10-14-4-3-5-19-14/h3-5,11-13,15-17H,6-10H2,1-2H3
InChIKeyGWQYXCHMAQDNPI-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.15
Rot. Bonds10

About 2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol

2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol (PubChem CID 61245995) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol
PubChem CID61245995
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCC(O)COCc1ccco1
InChIInChI=1S/C14H25NO4/c1-11(2)6-12(8-16)15-7-13(17)9-18-10-14-4-3-5-19-14/h3-5,11-13,15-17H,6-10H2,1-2H3
InChIKeyGWQYXCHMAQDNPI-UHFFFAOYSA-N
XLogP1.15
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81352394
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81388401
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
CID 61246872
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol (CID 61245995) is 2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol is CC(C)CC(CO)NCC(O)COCc1ccco1.
What is the InChIKey of 2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol?
The InChIKey is GWQYXCHMAQDNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11(2)6-12(8-16)15-7-13(17)9-18-10-14-4-3-5-19-14/h3-5,11-13,15-17H,6-10H2,1-2H3.
What are the key properties of 2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol?
2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 1.15, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 61245995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).