1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine

C14H15Br2NS — CID 80532956

IUPAC1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C14H15Br2NS/c1-3-9-4-6-10(7-5-9)13(17-2)12-8-11(15)14(16)18-12/h4-8,13,17H,3H2,1-2H3
InChIKeyKZEKFTXNMASCHU-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.14
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine

1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine (PubChem CID 80532956) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
PubChem CID80532956
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C14H15Br2NS/c1-3-9-4-6-10(7-5-9)13(17-2)12-8-11(15)14(16)18-12/h4-8,13,17H,3H2,1-2H3
InChIKeyKZEKFTXNMASCHU-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine (CID 80532956) is 1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine?
The InChIKey is KZEKFTXNMASCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-3-9-4-6-10(7-5-9)13(17-2)12-8-11(15)14(16)18-12/h4-8,13,17H,3H2,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine?
1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 80532956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).