[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol

C14H17NO2 — CID 79032632

IUPAC[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
SMILESC[C@@H](NCc1ccc(CO)o1)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-11(12-5-3-2-4-6-12)15-9-13-7-8-14(10-16)17-13/h2-8,11,15-16H,9-10H2,1H3/t11-/m1/s1
InChIKeyLOXSJKUAQJSGIB-LLVKDONJSA-N
MW231.30 g/mol
LogP2.62
Rot. Bonds5

About [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol

[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol (PubChem CID 79032632) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
PubChem CID79032632
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
SMILESC[C@@H](NCc1ccc(CO)o1)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-11(12-5-3-2-4-6-12)15-9-13-7-8-14(10-16)17-13/h2-8,11,15-16H,9-10H2,1H3/t11-/m1/s1
InChIKeyLOXSJKUAQJSGIB-LLVKDONJSA-N
XLogP2.62
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 81364609
[5-[[1-(furan-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 115711896
[5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol
CID 64579765
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
CID 81351573
[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol
CID 64579003
methyl 4-[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]benzoate
CID 8636505
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol
CID 111467126
dimethyl 5-[5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 8638607
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
(1S)-N-[(5-morpholin-4-ylfuran-2-yl)methyl]-1-phenylethanamine
CID 102174400

Frequently Asked Questions

What is the IUPAC name of [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol (CID 79032632) is [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol is C[C@@H](NCc1ccc(CO)o1)c1ccccc1.
What is the InChIKey of [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is LOXSJKUAQJSGIB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(12-5-3-2-4-6-12)15-9-13-7-8-14(10-16)17-13/h2-8,11,15-16H,9-10H2,1H3/t11-/m1/s1.
What are the key properties of [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol?
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 231.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 79032632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).