(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol

C14H19NO2 — CID 79254599

IUPAC(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-10(2)13(9-16)15-8-12-7-11-5-3-4-6-14(11)17-12/h3-7,10,13,15-16H,8-9H2,1-2H3/t13-/m1/s1
InChIKeyTURGZYNZLUYHIN-CYBMUJFWSA-N
MW233.31 g/mol
LogP2.54
Rot. Bonds5

About (2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol

(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol (PubChem CID 79254599) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
PubChem CID79254599
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-10(2)13(9-16)15-8-12-7-11-5-3-4-6-14(11)17-12/h3-7,10,13,15-16H,8-9H2,1-2H3/t13-/m1/s1
InChIKeyTURGZYNZLUYHIN-CYBMUJFWSA-N
XLogP2.54
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271023
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
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
(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)-2,3,3-trimethylbutan-1-amine
CID 78966709
3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
CID 103786549
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol
CID 55081813

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol (CID 79254599) is (2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCc1cc2ccccc2o1.
What is the InChIKey of (2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol?
The InChIKey is TURGZYNZLUYHIN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)13(9-16)15-8-12-7-11-5-3-4-6-14(11)17-12/h3-7,10,13,15-16H,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol?
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.54, 5 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)-3-methylbutan-1-ol is sourced from PubChem (CID 79254599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).