1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine

C14H15Br2NS — CID 43486963

IUPAC1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)sc1Br)c1cccc(C)c1C
InChIInChI=1S/C14H15Br2NS/c1-8-5-4-6-10(9(8)2)13(17-3)11-7-12(15)18-14(11)16/h4-7,13,17H,1-3H3
InChIKeyMTEIFGKRFBVXCY-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.20
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine

1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine (PubChem CID 43486963) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
PubChem CID43486963
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)sc1Br)c1cccc(C)c1C
InChIInChI=1S/C14H15Br2NS/c1-8-5-4-6-10(9(8)2)13(17-3)11-7-12(15)18-14(11)16/h4-7,13,17H,1-3H3
InChIKeyMTEIFGKRFBVXCY-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2,5-dibromothiophen-3-yl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 107970220
1-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 61103986
1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107968843
1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43482284
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43486875
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961216
1-(3-bromo-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990397
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 107961434
1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 114023801
1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850587
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 62548873

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine (CID 43486963) is 1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(Br)sc1Br)c1cccc(C)c1C.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The InChIKey is MTEIFGKRFBVXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-8-5-4-6-10(9(8)2)13(17-3)11-7-12(15)18-14(11)16/h4-7,13,17H,1-3H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43486963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).