N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine

C17H20BrNOS — CID 105049023

IUPACN-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(Br)s1)c1cccc2c1OCCC2
InChIInChI=1S/C17H20BrNOS/c1-3-19-15(14-10-11(2)17(18)21-14)13-8-4-6-12-7-5-9-20-16(12)13/h4,6,8,10,15,19H,3,5,7,9H2,1-2H3
InChIKeyQIQLCTXSTMYQDD-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.84
Rot. Bonds4

About N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine

N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine (PubChem CID 105049023) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
PubChem CID105049023
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(Br)s1)c1cccc2c1OCCC2
InChIInChI=1S/C17H20BrNOS/c1-3-19-15(14-10-11(2)17(18)21-14)13-8-4-6-12-7-5-9-20-16(12)13/h4,6,8,10,15,19H,3,5,7,9H2,1-2H3
InChIKeyQIQLCTXSTMYQDD-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(5-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114745403
N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924
N-[2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105053509
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
CID 114744929
N-[3,4-dihydro-2H-chromen-8-yl(furan-2-yl)methyl]ethanamine
CID 114745255
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 107985492
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923918
N-[3,4-dihydro-2H-chromen-8-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114745552
N-[(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 105187326
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 79981650

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine (CID 105049023) is N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine is CCNC(c1cc(C)c(Br)s1)c1cccc2c1OCCC2.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine?
The InChIKey is QIQLCTXSTMYQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-3-19-15(14-10-11(2)17(18)21-14)13-8-4-6-12-7-5-9-20-16(12)13/h4,6,8,10,15,19H,3,5,7,9H2,1-2H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine?
N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine has a molecular weight of 366.32 g/mol, XLogP of 4.84, 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)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine is sourced from PubChem (CID 105049023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).