(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol

C7H11NO2 — CID 96735872

IUPAC(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol
SMILESCc1cc([C@H](N)CO)co1
InChIInChI=1S/C7H11NO2/c1-5-2-6(4-10-5)7(8)3-9/h2,4,7,9H,3,8H2,1H3/t7-/m1/s1
InChIKeyYHVRBQCORXYEGH-SSDOTTSWSA-N
MW141.17 g/mol
LogP0.58
Rot. Bonds2

About (2S)-2-amino-2-(5-methylfuran-3-yl)ethanol

(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol (PubChem CID 96735872) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol
PubChem CID96735872
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol
SMILESCc1cc([C@H](N)CO)co1
InChIInChI=1S/C7H11NO2/c1-5-2-6(4-10-5)7(8)3-9/h2,4,7,9H,3,8H2,1H3/t7-/m1/s1
InChIKeyYHVRBQCORXYEGH-SSDOTTSWSA-N
XLogP0.58
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-3-yl)butan-1-amine
CID 82416831
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
(1R)-2,2,2-trifluoro-1-(5-methylfuran-3-yl)ethanamine
CID 130611310
4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine
CID 115865315
2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 114821216
1-(5-methylfuran-3-yl)ethanol
CID 112692743
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(2R)-2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 66515636
(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 115796793
2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 77130523
2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 107312036
(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-methylfuran-3-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(5-methylfuran-3-yl)ethanol (CID 96735872) is (2S)-2-amino-2-(5-methylfuran-3-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(5-methylfuran-3-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(5-methylfuran-3-yl)ethanol is Cc1cc([C@H](N)CO)co1.
What is the InChIKey of (2S)-2-amino-2-(5-methylfuran-3-yl)ethanol?
The InChIKey is YHVRBQCORXYEGH-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-2-6(4-10-5)7(8)3-9/h2,4,7,9H,3,8H2,1H3/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(5-methylfuran-3-yl)ethanol?
(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol has a molecular weight of 141.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(5-methylfuran-3-yl)ethanol is sourced from PubChem (CID 96735872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).