1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine

C15H16BrNOS — CID 54908971

IUPAC1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCCO2)c1ccc(Br)s1
InChIInChI=1S/C15H16BrNOS/c1-17-15(13-6-7-14(16)19-13)11-4-5-12-10(9-11)3-2-8-18-12/h4-7,9,15,17H,2-3,8H2,1H3
InChIKeyJMYLOLUGDIWRGX-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.14
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine

1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine (PubChem CID 54908971) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
PubChem CID54908971
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCCO2)c1ccc(Br)s1
InChIInChI=1S/C15H16BrNOS/c1-17-15(13-6-7-14(16)19-13)11-4-5-12-10(9-11)3-2-8-18-12/h4-7,9,15,17H,2-3,8H2,1H3
InChIKeyJMYLOLUGDIWRGX-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 80531221
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 61027887
N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61026721
1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 61026466
1-(3-bromo-2-fluorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107950500
(5-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43464388
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 61027481
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985465
1-(1-benzothiophen-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 61407015
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine (CID 54908971) is 1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)CCCO2)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine?
The InChIKey is JMYLOLUGDIWRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-17-15(13-6-7-14(16)19-13)11-4-5-12-10(9-11)3-2-8-18-12/h4-7,9,15,17H,2-3,8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine?
1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine has a molecular weight of 338.27 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine is sourced from PubChem (CID 54908971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).