2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine

C16H18BrNOS — CID 65410469

IUPAC2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)C1CCOc2ccccc21
InChIInChI=1S/C16H18BrNOS/c1-18-14(10-16-13(17)7-9-20-16)11-6-8-19-15-5-3-2-4-12(11)15/h2-5,7,9,11,14,18H,6,8,10H2,1H3
InChIKeyPESDOYIYBFAAMX-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.21
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine

2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine (PubChem CID 65410469) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
PubChem CID65410469
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)C1CCOc2ccccc21
InChIInChI=1S/C16H18BrNOS/c1-18-14(10-16-13(17)7-9-20-16)11-6-8-19-15-5-3-2-4-12(11)15/h2-5,7,9,11,14,18H,6,8,10H2,1H3
InChIKeyPESDOYIYBFAAMX-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65411645
4-[bromo-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 80536724
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79826943
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105139532
1-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 65412626
1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 102827282
1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 79723538
2-(3-bromothiophen-2-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 112681190
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methyl]ethanamine
CID 80529022
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine
CID 105230271
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
CID 115849121
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 2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine (CID 65410469) is 2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine is CNC(Cc1sccc1Br)C1CCOc2ccccc21.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
The InChIKey is PESDOYIYBFAAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-18-14(10-16-13(17)7-9-20-16)11-6-8-19-15-5-3-2-4-12(11)15/h2-5,7,9,11,14,18H,6,8,10H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine has a molecular weight of 352.30 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine is sourced from PubChem (CID 65410469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).