N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine

C16H20BrNO — CID 107727469

IUPACN-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2cc(C)c(Br)c(C)c2c1C1CC1
InChIInChI=1S/C16H20BrNO/c1-4-18-8-13-15(11-5-6-11)14-10(3)16(17)9(2)7-12(14)19-13/h7,11,18H,4-6,8H2,1-3H3
InChIKeyUEBNHXBHBOOQEY-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.80
Rot. Bonds4

About N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine

N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 107727469) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID107727469
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2cc(C)c(Br)c(C)c2c1C1CC1
InChIInChI=1S/C16H20BrNO/c1-4-18-8-13-15(11-5-6-11)14-10(3)16(17)9(2)7-12(14)19-13/h7,11,18H,4-6,8H2,1-3H3
InChIKeyUEBNHXBHBOOQEY-UHFFFAOYSA-N
XLogP4.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114375721
N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine
CID 107727434
N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377311
N-[(4-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 107287762
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114374961
N-[(4,6-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377035
N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377188
N-[(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049450
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375397
2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetic acid
CID 107725443
5-bromo-3,4,6-trimethyl-1-benzofuran-2-carbonitrile
CID 107726145
N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine
CID 114376554

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine (CID 107727469) is N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1oc2cc(C)c(Br)c(C)c2c1C1CC1.
What is the InChIKey of N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is UEBNHXBHBOOQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-4-18-8-13-15(11-5-6-11)14-10(3)16(17)9(2)7-12(14)19-13/h7,11,18H,4-6,8H2,1-3H3.
What are the key properties of N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine?
N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 322.25 g/mol, XLogP of 4.80, 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-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 107727469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).