(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine

C14H19NO — CID 107668321

IUPAC(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCCC(C)c1ccc2oc(CN)c(C)c2c1
InChIInChI=1S/C14H19NO/c1-4-9(2)11-5-6-13-12(7-11)10(3)14(8-15)16-13/h5-7,9H,4,8,15H2,1-3H3
InChIKeyZVCLAFNXXSXRDO-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.71
Rot. Bonds3

About (5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine

(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 107668321) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID107668321
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCCC(C)c1ccc2oc(CN)c(C)c2c1
InChIInChI=1S/C14H19NO/c1-4-9(2)11-5-6-13-12(7-11)10(3)14(8-15)16-13/h5-7,9H,4,8,15H2,1-3H3
InChIKeyZVCLAFNXXSXRDO-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone
CID 107667352
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 107667356
(5-butan-2-yl-1-benzofuran-2-yl)methanamine
CID 107668317
N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107669906
2-butan-2-yl-8-phenyldibenzofuran;ethane
CID 142405868
3-methyl-2,5-di(propan-2-yl)-1-benzofuran
CID 154693825
(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)methanamine
CID 81047700
(4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151193
5-butan-2-yl-1-benzofuran-2-carboxamide
CID 155041385
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine
CID 107669328
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973

Frequently Asked Questions

What is the IUPAC name of (5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine (CID 107668321) is (5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine is CCC(C)c1ccc2oc(CN)c(C)c2c1.
What is the InChIKey of (5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is ZVCLAFNXXSXRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-9(2)11-5-6-13-12(7-11)10(3)14(8-15)16-13/h5-7,9H,4,8,15H2,1-3H3.
What are the key properties of (5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine?
(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 217.31 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 (5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 107668321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).