1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol

C14H24N2O2 — CID 54917373

IUPAC1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1ccc(C(C)NCC(O)CN2CCCC2)o1
InChIInChI=1S/C14H24N2O2/c1-11-5-6-14(18-11)12(2)15-9-13(17)10-16-7-3-4-8-16/h5-6,12-13,15,17H,3-4,7-10H2,1-2H3
InChIKeyDVBITBRHDAQNHY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.70
Rot. Bonds6

About 1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 54917373) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID54917373
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1ccc(C(C)NCC(O)CN2CCCC2)o1
InChIInChI=1S/C14H24N2O2/c1-11-5-6-14(18-11)12(2)15-9-13(17)10-16-7-3-4-8-16/h5-6,12-13,15,17H,3-4,7-10H2,1-2H3
InChIKeyDVBITBRHDAQNHY-UHFFFAOYSA-N
XLogP1.70
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol
CID 115714813
1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81399781
1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60698146
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
1-cyclopentyl-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103157408
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 43207823
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60673238
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774
1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729320

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 54917373) is 1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol is Cc1ccc(C(C)NCC(O)CN2CCCC2)o1.
What is the InChIKey of 1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is DVBITBRHDAQNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-5-6-14(18-11)12(2)15-9-13(17)10-16-7-3-4-8-16/h5-6,12-13,15,17H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 54917373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).