(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol

C12H15NO2 — CID 93082461

IUPAC(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
SMILESC[C@@H](CO)NCc1cc2ccccc2o1
InChIInChI=1S/C12H15NO2/c1-9(8-14)13-7-11-6-10-4-2-3-5-12(10)15-11/h2-6,9,13-14H,7-8H2,1H3/t9-/m0/s1
InChIKeyVDQWFUXUDVYOJZ-VIFPVBQESA-N
MW205.26 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol

(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol (PubChem CID 93082461) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
PubChem CID93082461
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
SMILESC[C@@H](CO)NCc1cc2ccccc2o1
InChIInChI=1S/C12H15NO2/c1-9(8-14)13-7-11-6-10-4-2-3-5-12(10)15-11/h2-6,9,13-14H,7-8H2,1H3/t9-/m0/s1
InChIKeyVDQWFUXUDVYOJZ-VIFPVBQESA-N
XLogP1.90
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 103685027
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403388
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 28653087
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271023
2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol
CID 115630511
N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709
2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol
CID 55081813
1-(1-benzofuran-2-ylmethyl)-3-(4-hydroxy-3-methylsulfanylbutan-2-yl)urea
CID 111443751

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol?
The IUPAC name of (2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol (CID 93082461) is (2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol is C[C@@H](CO)NCc1cc2ccccc2o1.
What is the InChIKey of (2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol?
The InChIKey is VDQWFUXUDVYOJZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(8-14)13-7-11-6-10-4-2-3-5-12(10)15-11/h2-6,9,13-14H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol?
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol has a molecular weight of 205.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 93082461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).