1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine

C14H16BrNS — CID 81327681

IUPAC1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine
SMILESCc1cccc(C)c1CNCc1cc(Br)cs1
InChIInChI=1S/C14H16BrNS/c1-10-4-3-5-11(2)14(10)8-16-7-13-6-12(15)9-17-13/h3-6,9,16H,7-8H2,1-2H3
InChIKeyNODGLEAFBUCAJE-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine

1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine (PubChem CID 81327681) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine
PubChem CID81327681
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine
SMILESCc1cccc(C)c1CNCc1cc(Br)cs1
InChIInChI=1S/C14H16BrNS/c1-10-4-3-5-11(2)14(10)8-16-7-13-6-12(15)9-17-13/h3-6,9,16H,7-8H2,1-2H3
InChIKeyNODGLEAFBUCAJE-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine (CID 81327681) is 1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine is Cc1cccc(C)c1CNCc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
The InChIKey is NODGLEAFBUCAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-4-3-5-11(2)14(10)8-16-7-13-6-12(15)9-17-13/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine?
1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine has a molecular weight of 310.26 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 81327681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).