(2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol

C8H15NO2 — CID 164662086

IUPAC(2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol
SMILESCN[C@@H](C)C(O)C1=COCC1
InChIInChI=1S/C8H15NO2/c1-6(9-2)8(10)7-3-4-11-5-7/h5-6,8-10H,3-4H2,1-2H3/t6-,8?/m0/s1
InChIKeyNNQLAPAPKZJMAE-UUEFVBAFSA-N
MW157.21 g/mol
LogP0.26
Rot. Bonds3

About (2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol

(2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol (PubChem CID 164662086) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol
PubChem CID164662086
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol
SMILESCN[C@@H](C)C(O)C1=COCC1
InChIInChI=1S/C8H15NO2/c1-6(9-2)8(10)7-3-4-11-5-7/h5-6,8-10H,3-4H2,1-2H3/t6-,8?/m0/s1
InChIKeyNNQLAPAPKZJMAE-UUEFVBAFSA-N
XLogP0.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydrofuran-4-yl(piperidin-2-yl)methanol
CID 130579119
2,3-Dihydrofuran-4-yl(pyrrolidin-2-yl)methanol
CID 130579120
1-(2,3-Dihydrofuran-4-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 130589684
2-Amino-1-(4,5-dihydrofuran-3-yl)propan-1-ol
CID 164658402

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol?
The IUPAC name of (2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol (CID 164662086) is (2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for (2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol?
The canonical SMILES for (2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol is CN[C@@H](C)C(O)C1=COCC1.
What is the InChIKey of (2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol?
The InChIKey is NNQLAPAPKZJMAE-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(9-2)8(10)7-3-4-11-5-7/h5-6,8-10H,3-4H2,1-2H3/t6-,8?/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol?
(2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol has a molecular weight of 157.21 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydrofuran-4-yl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 164662086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).