1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine

C7H10BrNS — CID 22349555

IUPAC1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(Br)cs1
InChIInChI=1S/C7H10BrNS/c1-9(2)4-7-3-6(8)5-10-7/h3,5H,4H2,1-2H3
InChIKeyFKYQUCSVRWXPKO-UHFFFAOYSA-N
MW220.13 g/mol
LogP2.57
Rot. Bonds2

About 1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine

1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine (PubChem CID 22349555) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine
PubChem CID22349555
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC Name1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(Br)cs1
InChIInChI=1S/C7H10BrNS/c1-9(2)4-7-3-6(8)5-10-7/h3,5H,4H2,1-2H3
InChIKeyFKYQUCSVRWXPKO-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine (CID 22349555) is 1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine is CN(C)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine?
The InChIKey is FKYQUCSVRWXPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-9(2)4-7-3-6(8)5-10-7/h3,5H,4H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine?
1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine has a molecular weight of 220.13 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 22349555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).