1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine

C15H16BrNOS — CID 114745408

IUPAC1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cs1)c1cccc2c1OCCC2
InChIInChI=1S/C15H16BrNOS/c1-17-14(13-8-11(16)9-19-13)12-6-2-4-10-5-3-7-18-15(10)12/h2,4,6,8-9,14,17H,3,5,7H2,1H3
InChIKeyVIDONGORSQVKSS-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.14
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine

1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine (PubChem CID 114745408) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
PubChem CID114745408
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cs1)c1cccc2c1OCCC2
InChIInChI=1S/C15H16BrNOS/c1-17-14(13-8-11(16)9-19-13)12-6-2-4-10-5-3-7-18-15(10)12/h2,4,6,8-9,14,17H,3,5,7H2,1H3
InChIKeyVIDONGORSQVKSS-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

[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105222676
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049004
N-[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745411
1-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049275
1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049025
1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049062
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209
N-[(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 105187326
1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107946952
1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105049103
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053222

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine (CID 114745408) is 1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine is CNC(c1cc(Br)cs1)c1cccc2c1OCCC2.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The InChIKey is VIDONGORSQVKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-17-14(13-8-11(16)9-19-13)12-6-2-4-10-5-3-7-18-15(10)12/h2,4,6,8-9,14,17H,3,5,7H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-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-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine is sourced from PubChem (CID 114745408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).