1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine

C15H21NO — CID 113459839

IUPAC1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2c(C(C)C)cccc12
InChIInChI=1S/C15H21NO/c1-5-11-13-8-6-7-12(10(2)3)15(13)17-14(11)9-16-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyBVWYSYHTONCQGK-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.84
Rot. Bonds4

About 1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine

1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 113459839) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID113459839
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2c(C(C)C)cccc12
InChIInChI=1S/C15H21NO/c1-5-11-13-8-6-7-12(10(2)3)15(13)17-14(11)9-16-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyBVWYSYHTONCQGK-UHFFFAOYSA-N
XLogP3.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.84
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
1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842971
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
CID 82379660
2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
CID 91138149
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049925
3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride
CID 82378293
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230283
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376989

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine (CID 113459839) is 1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine is CCc1c(CNC)oc2c(C(C)C)cccc12.
What is the InChIKey of 1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is BVWYSYHTONCQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-11-13-8-6-7-12(10(2)3)15(13)17-14(11)9-16-4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of 1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 113459839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).