1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol

C13H22N2O2 — CID 81399781

IUPAC1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESC[C@@H](NCC(O)CN1CCCC1)c1ccco1
InChIInChI=1S/C13H22N2O2/c1-11(13-5-4-8-17-13)14-9-12(16)10-15-6-2-3-7-15/h4-5,8,11-12,14,16H,2-3,6-7,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyALKDTJKUUZZIAD-JHJMLUEUSA-N
MW238.33 g/mol
LogP1.39
Rot. Bonds6

About 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol

1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 81399781) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID81399781
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESC[C@@H](NCC(O)CN1CCCC1)c1ccco1
InChIInChI=1S/C13H22N2O2/c1-11(13-5-4-8-17-13)14-9-12(16)10-15-6-2-3-7-15/h4-5,8,11-12,14,16H,2-3,6-7,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyALKDTJKUUZZIAD-JHJMLUEUSA-N
XLogP1.39
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 54917373
1-cyclopentyl-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 103158136
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol (CID 81399781) is 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol is C[C@@H](NCC(O)CN1CCCC1)c1ccco1.
What is the InChIKey of 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is ALKDTJKUUZZIAD-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(13-5-4-8-17-13)14-9-12(16)10-15-6-2-3-7-15/h4-5,8,11-12,14,16H,2-3,6-7,9-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 81399781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).