N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine

C15H18BrNO — CID 114377311

IUPACN-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(C)cc(Br)cc2c1C1CC1
InChIInChI=1S/C15H18BrNO/c1-3-17-8-13-14(10-4-5-10)12-7-11(16)6-9(2)15(12)18-13/h6-7,10,17H,3-5,8H2,1-2H3
InChIKeyWHFUVQLIWIFMHO-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.49
Rot. Bonds4

About N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine

N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 114377311) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID114377311
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(C)cc(Br)cc2c1C1CC1
InChIInChI=1S/C15H18BrNO/c1-3-17-8-13-14(10-4-5-10)12-7-11(16)6-9(2)15(12)18-13/h6-7,10,17H,3-5,8H2,1-2H3
InChIKeyWHFUVQLIWIFMHO-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049450
N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114375721
N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 107727469
(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine
CID 62381419
(5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine
CID 114377426
1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843160
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-[[5-bromo-7-chloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376053
N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376967
N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114375532
4-bromo-2-(ethylaminomethyl)-6-methylphenol
CID 112553820

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine (CID 114377311) is N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1oc2c(C)cc(Br)cc2c1C1CC1.
What is the InChIKey of N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is WHFUVQLIWIFMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-17-8-13-14(10-4-5-10)12-7-11(16)6-9(2)15(12)18-13/h6-7,10,17H,3-5,8H2,1-2H3.
What are the key properties of N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine?
N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 308.22 g/mol, XLogP of 4.49, 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-7-methyl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114377311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).