[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine

C15H21NO — CID 114375860

IUPAC[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
SMILESCc1ccc(C)c2c(CC(C)C)c(CN)oc12
InChIInChI=1S/C15H21NO/c1-9(2)7-12-13(8-16)17-15-11(4)6-5-10(3)14(12)15/h5-6,9H,7-8,16H2,1-4H3
InChIKeyBZNIMUSSPVUXEO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.71
Rot. Bonds3

About [4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine

[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine (PubChem CID 114375860) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
PubChem CID114375860
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
SMILESCc1ccc(C)c2c(CC(C)C)c(CN)oc12
InChIInChI=1S/C15H21NO/c1-9(2)7-12-13(8-16)17-15-11(4)6-5-10(3)14(12)15/h5-6,9H,7-8,16H2,1-4H3
InChIKeyBZNIMUSSPVUXEO-UHFFFAOYSA-N
XLogP3.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114376411
1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114377486
N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377499
(4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 107287741
(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 81049235
N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 102990769
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
[3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine
CID 114375378
[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 107669939
[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine
CID 63488537
N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376870
N-[[4,7-difluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114377381

Frequently Asked Questions

What is the IUPAC name of [4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine (CID 114375860) is [4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine is Cc1ccc(C)c2c(CC(C)C)c(CN)oc12.
What is the InChIKey of [4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is BZNIMUSSPVUXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-9(2)7-12-13(8-16)17-15-11(4)6-5-10(3)14(12)15/h5-6,9H,7-8,16H2,1-4H3.
What are the key properties of [4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 114375860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).