N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine

C11H12BrNS2 — CID 79981814

IUPACN-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1cc(CNCc2cccs2)sc1Br
InChIInChI=1S/C11H12BrNS2/c1-8-5-10(15-11(8)12)7-13-6-9-3-2-4-14-9/h2-5,13H,6-7H2,1H3
InChIKeyJKOYRSDOIINCCI-UHFFFAOYSA-N
MW302.26 g/mol
LogP4.17
Rot. Bonds4

About N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 79981814) has the molecular formula C11H12BrNS2 and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID79981814
Molecular FormulaC11H12BrNS2
Molecular Weight302.26 g/mol
Exact Mass300.96
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1cc(CNCc2cccs2)sc1Br
InChIInChI=1S/C11H12BrNS2/c1-8-5-10(15-11(8)12)7-13-6-9-3-2-4-14-9/h2-5,13H,6-7H2,1H3
InChIKeyJKOYRSDOIINCCI-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113
2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
CID 61150338
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 65244071
N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine
CID 80711429
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine
CID 115407076
2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine
CID 115710741
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-(furan-2-yl)ethanamine
CID 115710435
1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one
CID 114973168
1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 107938689
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine (CID 79981814) is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1cc(CNCc2cccs2)sc1Br.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is JKOYRSDOIINCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS2/c1-8-5-10(15-11(8)12)7-13-6-9-3-2-4-14-9/h2-5,13H,6-7H2,1H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 302.26 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 79981814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).