2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine

C14H20BrNS — CID 105087640

IUPAC2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1ccccc1Br)C1(C)CCCS1
InChIInChI=1S/C14H20BrNS/c1-14(8-5-9-17-14)13(16-2)10-11-6-3-4-7-12(11)15/h3-4,6-7,13,16H,5,8-10H2,1-2H3
InChIKeyKBTLANYTDAYVMW-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.87
Rot. Bonds4

About 2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine

2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 105087640) has the molecular formula C14H20BrNS and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID105087640
Molecular FormulaC14H20BrNS
Molecular Weight314.29 g/mol
Exact Mass313.05
IUPAC Name2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1ccccc1Br)C1(C)CCCS1
InChIInChI=1S/C14H20BrNS/c1-14(8-5-9-17-14)13(16-2)10-11-6-3-4-7-12(11)15/h3-4,6-7,13,16H,5,8-10H2,1-2H3
InChIKeyKBTLANYTDAYVMW-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine
CID 105159328
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 103052717
2-(2-bromophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63080919
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105175075
2-(2-methylphenyl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105091740
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
CID 106271374
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 107065238
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105153637

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine (CID 105087640) is 2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine is CNC(Cc1ccccc1Br)C1(C)CCCS1.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is KBTLANYTDAYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNS/c1-14(8-5-9-17-14)13(16-2)10-11-6-3-4-7-12(11)15/h3-4,6-7,13,16H,5,8-10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 314.29 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 105087640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).