N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine

C14H21BrN2OS — CID 102844603

IUPACN-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
SMILESCc1sc(C2C(CNC3CC3)OCCN2C)cc1Br
InChIInChI=1S/C14H21BrN2OS/c1-9-11(15)7-13(19-9)14-12(8-16-10-3-4-10)18-6-5-17(14)2/h7,10,12,14,16H,3-6,8H2,1-2H3
InChIKeyBLDFPQCXHYXOAP-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.94
Rot. Bonds4

About N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine

N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine (PubChem CID 102844603) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
PubChem CID102844603
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC NameN-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
SMILESCc1sc(C2C(CNC3CC3)OCCN2C)cc1Br
InChIInChI=1S/C14H21BrN2OS/c1-9-11(15)7-13(19-9)14-12(8-16-10-3-4-10)18-6-5-17(14)2/h7,10,12,14,16H,3-6,8H2,1-2H3
InChIKeyBLDFPQCXHYXOAP-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]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

N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 79971167
N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine
CID 113472487
N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 81160749
N-[[3-(1-ethylpyrazol-4-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 103570741
N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 115381375
N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine
CID 102844899
1-[2-(4-bromo-5-methylthiophen-2-yl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 102844581
N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 66158580
2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
CID 102845718
N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 66159173
N-[[3-(4-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 79971008
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine (CID 102844603) is N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine is Cc1sc(C2C(CNC3CC3)OCCN2C)cc1Br.
What is the InChIKey of N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
The InChIKey is BLDFPQCXHYXOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-9-11(15)7-13(19-9)14-12(8-16-10-3-4-10)18-6-5-17(14)2/h7,10,12,14,16H,3-6,8H2,1-2H3.
What are the key properties of N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine has a molecular weight of 345.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102844603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).