3-(1-benzofuran-2-yl)-2-methylpropan-1-amine

C12H15NO — CID 114733511

IUPAC3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cc2ccccc2o1
InChIInChI=1S/C12H15NO/c1-9(8-13)6-11-7-10-4-2-3-5-12(10)14-11/h2-5,7,9H,6,8,13H2,1H3
InChIKeyNXGHIOKZJAOZQW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.57
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-2-methylpropan-1-amine

3-(1-benzofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 114733511) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
PubChem CID114733511
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cc2ccccc2o1
InChIInChI=1S/C12H15NO/c1-9(8-13)6-11-7-10-4-2-3-5-12(10)14-11/h2-5,7,9H,6,8,13H2,1H3
InChIKeyNXGHIOKZJAOZQW-UHFFFAOYSA-N
XLogP2.57
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 114733525
(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
CID 139947537
1-(1-benzofuran-2-yl)pentan-2-amine
CID 139946655
CID 156725408
CID 156725408
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
CID 114733291
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981918
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-2-methylpropan-1-amine (CID 114733511) is 3-(1-benzofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-2-methylpropan-1-amine is CC(CN)Cc1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is NXGHIOKZJAOZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(8-13)6-11-7-10-4-2-3-5-12(10)14-11/h2-5,7,9H,6,8,13H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-2-methylpropan-1-amine?
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 114733511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).