N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

C17H25NO2 — CID 114374981

IUPACN-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCOc1ccc2c(C(C)C)c(CNCC(C)C)oc2c1
InChIInChI=1S/C17H25NO2/c1-11(2)9-18-10-16-17(12(3)4)14-7-6-13(19-5)8-15(14)20-16/h6-8,11-12,18H,9-10H2,1-5H3
InChIKeyNIXLYBKLZQMJFW-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.31
Rot. Bonds6

About N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 114374981) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID114374981
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCOc1ccc2c(C(C)C)c(CNCC(C)C)oc2c1
InChIInChI=1S/C17H25NO2/c1-11(2)9-18-10-16-17(12(3)4)14-7-6-13(19-5)8-15(14)20-16/h6-8,11-12,18H,9-10H2,1-5H3
InChIKeyNIXLYBKLZQMJFW-UHFFFAOYSA-N
XLogP4.31
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65440527
N-[(6-chloro-7-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377736
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114374961
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114376798
N-[[5-bromo-6-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114377589
N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073016
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
N-[(3-tert-butyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114375396
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 15131055
N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81048184

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (CID 114374981) is N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is COc1ccc2c(C(C)C)c(CNCC(C)C)oc2c1.
What is the InChIKey of N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is NIXLYBKLZQMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11(2)9-18-10-16-17(12(3)4)14-7-6-13(19-5)8-15(14)20-16/h6-8,11-12,18H,9-10H2,1-5H3.
What are the key properties of N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114374981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).