2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine

C17H26BrNO — CID 64732436

IUPAC2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine
SMILESCNCC(OC1CC(C)CC(C)C1)c1ccccc1Br
InChIInChI=1S/C17H26BrNO/c1-12-8-13(2)10-14(9-12)20-17(11-19-3)15-6-4-5-7-16(15)18/h4-7,12-14,17,19H,8-11H2,1-3H3
InChIKeyXDFAKMSOGMWIGV-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.55
Rot. Bonds5

About 2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine

2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine (PubChem CID 64732436) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine
PubChem CID64732436
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine
SMILESCNCC(OC1CC(C)CC(C)C1)c1ccccc1Br
InChIInChI=1S/C17H26BrNO/c1-12-8-13(2)10-14(9-12)20-17(11-19-3)15-6-4-5-7-16(15)18/h4-7,12-14,17,19H,8-11H2,1-3H3
InChIKeyXDFAKMSOGMWIGV-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
2-(2-bromophenyl)-2-methoxy-N-methylethanamine
CID 62106932
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63474611
2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
CID 55036243
N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102607797
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052
2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine
CID 62109237
1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116948009
2-(2-bromophenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792734
2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
CID 55036283
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine (CID 64732436) is 2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine is CNCC(OC1CC(C)CC(C)C1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine?
The InChIKey is XDFAKMSOGMWIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-12-8-13(2)10-14(9-12)20-17(11-19-3)15-6-4-5-7-16(15)18/h4-7,12-14,17,19H,8-11H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine?
2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine is sourced from PubChem (CID 64732436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).