1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine

C13H20BrNS — CID 107178270

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
SMILESCNC(c1cc(Br)c(C)s1)C1CCCC1C
InChIInChI=1S/C13H20BrNS/c1-8-5-4-6-10(8)13(15-3)12-7-11(14)9(2)16-12/h7-8,10,13,15H,4-6H2,1-3H3
InChIKeyISBULTYBDQNCTJ-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.52
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine

1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine (PubChem CID 107178270) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
PubChem CID107178270
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
SMILESCNC(c1cc(Br)c(C)s1)C1CCCC1C
InChIInChI=1S/C13H20BrNS/c1-8-5-4-6-10(8)13(15-3)12-7-11(14)9(2)16-12/h7-8,10,13,15H,4-6H2,1-3H3
InChIKeyISBULTYBDQNCTJ-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine
CID 107177150
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 102827463
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(4-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 102827331
3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene
CID 102835800
N-methyl-1-(2-methylcyclopentyl)-1-(2-methylthiophen-3-yl)methanamine
CID 107191644
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-3-yl)methanamine
CID 107189272
1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 102827282
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 102827357
5-[7-bicyclo[4.1.0]heptanyl(bromo)methyl]-3-bromo-2-methylthiophene
CID 102836130
1-cyclohexyl-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 114981123
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 102839059

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine (CID 107178270) is 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine is CNC(c1cc(Br)c(C)s1)C1CCCC1C.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine?
The InChIKey is ISBULTYBDQNCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-8-5-4-6-10(8)13(15-3)12-7-11(14)9(2)16-12/h7-8,10,13,15H,4-6H2,1-3H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine has a molecular weight of 302.28 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107178270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).