N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine

C18H27NO — CID 114376870

IUPACN-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCCc1c(CNCC)oc2c(C(C)C)ccc(C)c12
InChIInChI=1S/C18H27NO/c1-6-8-15-16(11-19-7-2)20-18-14(12(3)4)10-9-13(5)17(15)18/h9-10,12,19H,6-8,11H2,1-5H3
InChIKeyYYUUCQKTPUFLRE-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.93
Rot. Bonds6

About N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine

N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 114376870) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID114376870
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCCc1c(CNCC)oc2c(C(C)C)ccc(C)c12
InChIInChI=1S/C18H27NO/c1-6-8-15-16(11-19-7-2)20-18-14(12(3)4)10-9-13(5)17(15)18/h9-10,12,19H,6-8,11H2,1-5H3
InChIKeyYYUUCQKTPUFLRE-UHFFFAOYSA-N
XLogP4.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114377113
N-[(3-tert-butyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377127
N-[(7-chloro-4-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376933
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 81049235
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
N-[(3-ethyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843114
N-[(5-bromo-4,7-dichloro-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
CID 107662964
N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377137
N-[(3-tert-butyl-7-chloro-4-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376949
N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 102990772

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine (CID 114376870) is N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine is CCCc1c(CNCC)oc2c(C(C)C)ccc(C)c12.
What is the InChIKey of N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is YYUUCQKTPUFLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-6-8-15-16(11-19-7-2)20-18-14(12(3)4)10-9-13(5)17(15)18/h9-10,12,19H,6-8,11H2,1-5H3.
What are the key properties of N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine?
N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114376870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).