(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine

C10H14BrNS — CID 130553169

IUPAC(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine
SMILESCc1sc(C(N)C2(C)CC2)cc1Br
InChIInChI=1S/C10H14BrNS/c1-6-7(11)5-8(13-6)9(12)10(2)3-4-10/h5,9H,3-4,12H2,1-2H3
InChIKeyLCCBZUJQFBWXFE-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.62
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine

(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine (PubChem CID 130553169) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine
PubChem CID130553169
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine
SMILESCc1sc(C(N)C2(C)CC2)cc1Br
InChIInChI=1S/C10H14BrNS/c1-6-7(11)5-8(13-6)9(12)10(2)3-4-10/h5,9H,3-4,12H2,1-2H3
InChIKeyLCCBZUJQFBWXFE-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 102827357
(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 82295003
2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane
CID 102835783
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
CID 102827056
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
CID 103514682
2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828933
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146
1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine
CID 102827028
2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyacetamide
CID 102843536
(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827023

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine (CID 130553169) is (4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine is Cc1sc(C(N)C2(C)CC2)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine?
The InChIKey is LCCBZUJQFBWXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-6-7(11)5-8(13-6)9(12)10(2)3-4-10/h5,9H,3-4,12H2,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine?
(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine has a molecular weight of 260.20 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine is sourced from PubChem (CID 130553169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).