1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine

C16H18BrNOS — CID 102827282

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(C)s1)C1CCOc2ccccc21
InChIInChI=1S/C16H18BrNOS/c1-10-13(17)9-15(20-10)16(18-2)12-7-8-19-14-6-4-3-5-11(12)14/h3-6,9,12,16,18H,7-8H2,1-2H3
InChIKeyXXOWAOHZORCHAN-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.65
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine

1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine (PubChem CID 102827282) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
PubChem CID102827282
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(C)s1)C1CCOc2ccccc21
InChIInChI=1S/C16H18BrNOS/c1-10-13(17)9-15(20-10)16(18-2)12-7-8-19-14-6-4-3-5-11(12)14/h3-6,9,12,16,18H,7-8H2,1-2H3
InChIKeyXXOWAOHZORCHAN-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 79723538
1-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409875
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 79990942
1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 63710100
1-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 65412626
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 102827463
2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65410469
4-[bromo-(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 63708837
3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 55225890
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107178270
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 114655760
1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine
CID 79179277

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine (CID 102827282) is 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine is CNC(c1cc(Br)c(C)s1)C1CCOc2ccccc21.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The InChIKey is XXOWAOHZORCHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-10-13(17)9-15(20-10)16(18-2)12-7-8-19-14-6-4-3-5-11(12)14/h3-6,9,12,16,18H,7-8H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine has a molecular weight of 352.30 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine is sourced from PubChem (CID 102827282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).