N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine

C16H18BrNOS — CID 79981650

IUPACN-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)c1cc(C)c(Br)s1
InChIInChI=1S/C16H18BrNOS/c1-3-18-15(14-8-10(2)16(17)20-14)12-4-5-13-11(9-12)6-7-19-13/h4-5,8-9,15,18H,3,6-7H2,1-2H3
InChIKeySMPVJKZYZLAOES-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.45
Rot. Bonds4

About N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine

N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine (PubChem CID 79981650) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
PubChem CID79981650
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)c1cc(C)c(Br)s1
InChIInChI=1S/C16H18BrNOS/c1-3-18-15(14-8-10(2)16(17)20-14)12-4-5-13-11(9-12)6-7-19-13/h4-5,8-9,15,18H,3,6-7H2,1-2H3
InChIKeySMPVJKZYZLAOES-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 79977080
N-[(5-bromo-4-methylthiophen-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 79982109
N-[(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 102764063
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 107981919
N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61026721
N-[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63209957
N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43489829
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 80531221
N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 43489895
N-[(4-bromo-3-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 81291295

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine (CID 79981650) is N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)CCO2)c1cc(C)c(Br)s1.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The InChIKey is SMPVJKZYZLAOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-3-18-15(14-8-10(2)16(17)20-14)12-4-5-13-11(9-12)6-7-19-13/h4-5,8-9,15,18H,3,6-7H2,1-2H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine has a molecular weight of 352.30 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 79981650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).