N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine

C10H14BrNS — CID 102844899

IUPACN-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine
SMILESCc1sc(CCNC2CC2)cc1Br
InChIInChI=1S/C10H14BrNS/c1-7-10(11)6-9(13-7)4-5-12-8-2-3-8/h6,8,12H,2-5H2,1H3
InChIKeyJCCIAVDBFNTPFA-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine

N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine (PubChem CID 102844899) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine
PubChem CID102844899
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC NameN-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine
SMILESCc1sc(CCNC2CC2)cc1Br
InChIInChI=1S/C10H14BrNS/c1-7-10(11)6-9(13-7)4-5-12-8-2-3-8/h6,8,12H,2-5H2,1H3
InChIKeyJCCIAVDBFNTPFA-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-(2-chloroethyl)-2-methylthiophene
CID 102844914
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 114008920
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
tert-butyl 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 107241646
N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 106042746
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 102836225
2-[4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 102832453
5-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-methylpiperidin-2-one
CID 102836038
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 114122323
N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine
CID 65305738
N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine
CID 82103043
N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 102844603

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine (CID 102844899) is N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine is Cc1sc(CCNC2CC2)cc1Br.
What is the InChIKey of N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine?
The InChIKey is JCCIAVDBFNTPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-7-10(11)6-9(13-7)4-5-12-8-2-3-8/h6,8,12H,2-5H2,1H3.
What are the key properties of N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine?
N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine has a molecular weight of 260.20 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 102844899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).