3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine

C14H19NO — CID 116987428

IUPAC3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
SMILESCc1oc2ccccc2c1C(CN)C(C)C
InChIInChI=1S/C14H19NO/c1-9(2)12(8-15)14-10(3)16-13-7-5-4-6-11(13)14/h4-7,9,12H,8,15H2,1-3H3
InChIKeyYETOXPWEWPLKJH-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.44
Rot. Bonds3

About 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine

3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine (PubChem CID 116987428) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
PubChem CID116987428
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
SMILESCc1oc2ccccc2c1C(CN)C(C)C
InChIInChI=1S/C14H19NO/c1-9(2)12(8-15)14-10(3)16-13-7-5-4-6-11(13)14/h4-7,9,12H,8,15H2,1-3H3
InChIKeyYETOXPWEWPLKJH-UHFFFAOYSA-N
XLogP3.44
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol
CID 130731754
N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 115985745
methyl 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butanoate
CID 116987431
2-(2-methyl-1-benzofuran-3-yl)butanoic acid
CID 116987423
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine
CID 82497735
[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine
CID 116987372
3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987358
1-[2-(diethylamino)-1-benzofuran-3-yl]ethanol
CID 139831385
ethane;2-methyl-1-benzofuran-3-thiol
CID 145124466
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine
CID 83910115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine (CID 116987428) is 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine is Cc1oc2ccccc2c1C(CN)C(C)C.
What is the InChIKey of 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine?
The InChIKey is YETOXPWEWPLKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)12(8-15)14-10(3)16-13-7-5-4-6-11(13)14/h4-7,9,12H,8,15H2,1-3H3.
What are the key properties of 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine?
3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine is sourced from PubChem (CID 116987428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).