N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine

C17H25NO — CID 114376666

IUPACN-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2c(C(C)C)cccc2c1C(C)C
InChIInChI=1S/C17H25NO/c1-6-18-10-15-16(12(4)5)14-9-7-8-13(11(2)3)17(14)19-15/h7-9,11-12,18H,6,10H2,1-5H3
InChIKeyRAQYHDRIRRSQFE-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.79
Rot. Bonds5

About N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine

N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 114376666) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID114376666
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2c(C(C)C)cccc2c1C(C)C
InChIInChI=1S/C17H25NO/c1-6-18-10-15-16(12(4)5)14-9-7-8-13(11(2)3)17(14)19-15/h7-9,11-12,18H,6,10H2,1-5H3
InChIKeyRAQYHDRIRRSQFE-UHFFFAOYSA-N
XLogP4.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114377113
2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
CID 91138149
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114377030
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376599
N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049925
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376818
N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114375532
N-[(7-chloro-4-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376933
N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376870

Frequently Asked Questions

What is the IUPAC name of N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine (CID 114376666) is N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine is CCNCc1oc2c(C(C)C)cccc2c1C(C)C.
What is the InChIKey of N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is RAQYHDRIRRSQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-18-10-15-16(12(4)5)14-9-7-8-13(11(2)3)17(14)19-15/h7-9,11-12,18H,6,10H2,1-5H3.
What are the key properties of N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine?
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 114376666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).