2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine

C13H18BrN — CID 61065850

IUPAC2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1)C1CC1C
InChIInChI=1S/C13H18BrN/c1-9-7-12(9)13(15-2)8-10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyWISHUWGCJKXYQA-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.24
Rot. Bonds4

About 2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine

2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine (PubChem CID 61065850) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
PubChem CID61065850
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1)C1CC1C
InChIInChI=1S/C13H18BrN/c1-9-7-12(9)13(15-2)8-10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyWISHUWGCJKXYQA-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
2-(5-bromothiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65419540
2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425315
N-ethyl-2-(4-ethylphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 65422577
[2-(4-bromophenyl)-1-(3,5-dimethylcyclohexyl)ethyl]hydrazine
CID 105195626
N-methyl-1-(2-methylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 107188350
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 106866952
2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107188307
[2-(4-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]hydrazine
CID 105235074
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404361
1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 64739642
N-ethyl-2-(4-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61066085

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine (CID 61065850) is 2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine is CNC(Cc1ccc(Br)cc1)C1CC1C.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine?
The InChIKey is WISHUWGCJKXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9-7-12(9)13(15-2)8-10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine?
2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine has a molecular weight of 268.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine is sourced from PubChem (CID 61065850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).