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

C14H19NO2 — CID 80701889

IUPAC2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1coc2ccccc12
InChIInChI=1S/C14H19NO2/c1-3-14(2,10-16)15-8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9,15-16H,3,8,10H2,1-2H3
InChIKeyNKTOLTAJCMRHJX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.68
Rot. Bonds5

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

2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol (PubChem CID 80701889) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol
PubChem CID80701889
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1coc2ccccc12
InChIInChI=1S/C14H19NO2/c1-3-14(2,10-16)15-8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9,15-16H,3,8,10H2,1-2H3
InChIKeyNKTOLTAJCMRHJX-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132762
methyl 2-(1-benzofuran-3-ylmethylamino)-2-methylpropanoate
CID 80700686
N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
CID 103826314
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol
CID 64550785
[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol
CID 115763206
3-methyl-3-(naphthalen-1-ylmethylamino)pentan-1-ol
CID 103774843
2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 111440131
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
CID 64551186
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol?
The IUPAC name of 2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol (CID 80701889) is 2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol is CCC(C)(CO)NCc1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol?
The InChIKey is NKTOLTAJCMRHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-14(2,10-16)15-8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9,15-16H,3,8,10H2,1-2H3.
What are the key properties of 2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol?
2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 80701889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).