(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol

C8H13NO2 — CID 131206305

IUPAC(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc([C@@H](N)[C@@H](C)O)o1
InChIInChI=1S/C8H13NO2/c1-5-3-4-7(11-5)8(9)6(2)10/h3-4,6,8,10H,9H2,1-2H3/t6-,8+/m1/s1
InChIKeyAYVBPBMGWNLYBA-SVRRBLITSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds2

About (1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol

(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 131206305) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
PubChem CID131206305
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc([C@@H](N)[C@@H](C)O)o1
InChIInChI=1S/C8H13NO2/c1-5-3-4-7(11-5)8(9)6(2)10/h3-4,6,8,10H,9H2,1-2H3/t6-,8+/m1/s1
InChIKeyAYVBPBMGWNLYBA-SVRRBLITSA-N
XLogP0.97
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 86263157
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
CID 130625362
1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66447737
2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol
CID 101334228
2-amino-2-methyl-1-(5-methylfuran-2-yl)propan-1-ol
CID 82412815
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine
CID 117104825
4-amino-1-(5-methylfuran-2-yl)butan-1-ol
CID 82412823
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol (CID 131206305) is (1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc([C@@H](N)[C@@H](C)O)o1.
What is the InChIKey of (1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is AYVBPBMGWNLYBA-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-3-4-7(11-5)8(9)6(2)10/h3-4,6,8,10H,9H2,1-2H3/t6-,8+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol?
(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 155.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 131206305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).