1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol

C17H23NO3 — CID 60910178

IUPAC1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(NCC(O)COC(C)c1ccccc1)c1ccco1
InChIInChI=1S/C17H23NO3/c1-13(17-9-6-10-20-17)18-11-16(19)12-21-14(2)15-7-4-3-5-8-15/h3-10,13-14,16,18-19H,11-12H2,1-2H3
InChIKeyVJOMTODUCFKHPU-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.07
Rot. Bonds8

About 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol

1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol (PubChem CID 60910178) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol
PubChem CID60910178
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(NCC(O)COC(C)c1ccccc1)c1ccco1
InChIInChI=1S/C17H23NO3/c1-13(17-9-6-10-20-17)18-11-16(19)12-21-14(2)15-7-4-3-5-8-15/h3-10,13-14,16,18-19H,11-12H2,1-2H3
InChIKeyVJOMTODUCFKHPU-UHFFFAOYSA-N
XLogP3.07
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol with MolForge

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Related Compounds

3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid
CID 81399651
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
(2S)-2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79249364
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250235
1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol
CID 63837243
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81392115
1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 60909460
1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81399740
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol (CID 60910178) is 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol is CC(NCC(O)COC(C)c1ccccc1)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is VJOMTODUCFKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(17-9-6-10-20-17)18-11-16(19)12-21-14(2)15-7-4-3-5-8-15/h3-10,13-14,16,18-19H,11-12H2,1-2H3.
What are the key properties of 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol?
1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 60910178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).