(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol

C10H17NO2 — CID 103880707

IUPAC(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
SMILESCc1cc(CN[C@@H](C)CO)c(C)o1
InChIInChI=1S/C10H17NO2/c1-7(6-12)11-5-10-4-8(2)13-9(10)3/h4,7,11-12H,5-6H2,1-3H3/t7-/m0/s1
InChIKeyCVSNOMSBJMKNHG-ZETCQYMHSA-N
MW183.25 g/mol
LogP1.37
Rot. Bonds4

About (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol

(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol (PubChem CID 103880707) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
PubChem CID103880707
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
SMILESCc1cc(CN[C@@H](C)CO)c(C)o1
InChIInChI=1S/C10H17NO2/c1-7(6-12)11-5-10-4-8(2)13-9(10)3/h4,7,11-12H,5-6H2,1-3H3/t7-/m0/s1
InChIKeyCVSNOMSBJMKNHG-ZETCQYMHSA-N
XLogP1.37
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
CID 115876595
(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
CID 104868153
2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 115876546
N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
CID 115875924
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
CID 115688380
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 115677056
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide
CID 103992303
N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine
CID 115908910
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
methyl (2S,3R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-3-hydroxybutanoate
CID 99779095
(2,5-dimethylfuran-3-yl)methanol
CID 10396847
2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
CID 103698714

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol (CID 103880707) is (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol is Cc1cc(CN[C@@H](C)CO)c(C)o1.
What is the InChIKey of (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol?
The InChIKey is CVSNOMSBJMKNHG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(6-12)11-5-10-4-8(2)13-9(10)3/h4,7,11-12H,5-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol?
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 103880707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).