N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

C18H26BrNO — CID 104843212

IUPACN-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)oc2c(C(C)C)cc(Br)cc12
InChIInChI=1S/C18H26BrNO/c1-7-13-15-9-12(19)8-14(11(2)3)17(15)21-16(13)10-20-18(4,5)6/h8-9,11,20H,7,10H2,1-6H3
InChIKeyMXICJYCZIPCLNC-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.77
Rot. Bonds4

About N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 104843212) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID104843212
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC NameN-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)oc2c(C(C)C)cc(Br)cc12
InChIInChI=1S/C18H26BrNO/c1-7-13-15-9-12(19)8-14(11(2)3)17(15)21-16(13)10-20-18(4,5)6/h8-9,11,20H,7,10H2,1-6H3
InChIKeyMXICJYCZIPCLNC-UHFFFAOYSA-N
XLogP5.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[(3-ethyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843114
1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843160
N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843151
2-methyl-N-[(4,5,7-trichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 104842863
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
N-[[5-bromo-7-chloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376058
N-[(4-chloro-3-ethyl-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843191
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
N-[(7-bromo-3-ethyl-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 104842925
N-[(7-bromo-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048068
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 113303050

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (CID 104843212) is N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is CCc1c(CNC(C)(C)C)oc2c(C(C)C)cc(Br)cc12.
What is the InChIKey of N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is MXICJYCZIPCLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-7-13-15-9-12(19)8-14(11(2)3)17(15)21-16(13)10-20-18(4,5)6/h8-9,11,20H,7,10H2,1-6H3.
What are the key properties of N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 352.32 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104843212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).