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

C14H19NO — CID 116987358

IUPAC3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine
SMILESCc1oc2ccccc2c1C(C)(C)CCN
InChIInChI=1S/C14H19NO/c1-10-13(14(2,3)8-9-15)11-6-4-5-7-12(11)16-10/h4-7H,8-9,15H2,1-3H3
InChIKeyIHKSZHBJUGQSRV-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.37
Rot. Bonds3

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

3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine (PubChem CID 116987358) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine
PubChem CID116987358
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine
SMILESCc1oc2ccccc2c1C(C)(C)CCN
InChIInChI=1S/C14H19NO/c1-10-13(14(2,3)8-9-15)11-6-4-5-7-12(11)16-10/h4-7H,8-9,15H2,1-3H3
InChIKeyIHKSZHBJUGQSRV-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 116987152
2-methyl-3-(trifluoromethyl)chromen-4-one
CID 175746490
3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 115907355
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987428
[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine
CID 116987372
2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran
CID 175141067
(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol
CID 130731754
ethane;2-methyl-1-benzofuran-3-thiol
CID 145124466
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364
4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
CID 103897611
2,2-dimethyl-3-(2-methyl-1-benzofuran-3-yl)propanoic acid
CID 116987382

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine (CID 116987358) is 3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine is Cc1oc2ccccc2c1C(C)(C)CCN.
What is the InChIKey of 3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine?
The InChIKey is IHKSZHBJUGQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-13(14(2,3)8-9-15)11-6-4-5-7-12(11)16-10/h4-7H,8-9,15H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine?
3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine is sourced from PubChem (CID 116987358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).