3-anilino-3-(furan-2-yl)propan-1-ol

C13H15NO2 — CID 83821736

IUPAC3-anilino-3-(furan-2-yl)propan-1-ol
SMILESOCCC(Nc1ccccc1)c1ccco1
InChIInChI=1S/C13H15NO2/c15-9-8-12(13-7-4-10-16-13)14-11-5-2-1-3-6-11/h1-7,10,12,14-15H,8-9H2
InChIKeyXNLSMWDZQJEHCO-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.82
Rot. Bonds5

About 3-anilino-3-(furan-2-yl)propan-1-ol

3-anilino-3-(furan-2-yl)propan-1-ol (PubChem CID 83821736) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-anilino-3-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-anilino-3-(furan-2-yl)propan-1-ol
PubChem CID83821736
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-anilino-3-(furan-2-yl)propan-1-ol
SMILESOCCC(Nc1ccccc1)c1ccco1
InChIInChI=1S/C13H15NO2/c15-9-8-12(13-7-4-10-16-13)14-11-5-2-1-3-6-11/h1-7,10,12,14-15H,8-9H2
InChIKeyXNLSMWDZQJEHCO-UHFFFAOYSA-N
XLogP2.82
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 3147174
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
anilino(furan-2-yl)methanol
CID 143292657
3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
3-(furan-2-yl)-3-(pyrido[2,3-b]pyrazin-6-ylamino)propan-1-ol
CID 133493774
3-(furan-2-yl)-3-[(5-nitropyrimidin-2-yl)amino]propan-1-ol
CID 133490903
3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133490838
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704
3-amino-3-anilinopropan-1-ol
CID 174697333
6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133490799
3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133493815
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092

Frequently Asked Questions

What is the IUPAC name of 3-anilino-3-(furan-2-yl)propan-1-ol?
The IUPAC name of 3-anilino-3-(furan-2-yl)propan-1-ol (CID 83821736) is 3-anilino-3-(furan-2-yl)propan-1-ol.
What is the SMILES notation for 3-anilino-3-(furan-2-yl)propan-1-ol?
The canonical SMILES for 3-anilino-3-(furan-2-yl)propan-1-ol is OCCC(Nc1ccccc1)c1ccco1.
What is the InChIKey of 3-anilino-3-(furan-2-yl)propan-1-ol?
The InChIKey is XNLSMWDZQJEHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-9-8-12(13-7-4-10-16-13)14-11-5-2-1-3-6-11/h1-7,10,12,14-15H,8-9H2.
What are the key properties of 3-anilino-3-(furan-2-yl)propan-1-ol?
3-anilino-3-(furan-2-yl)propan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-3-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 83821736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).