2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine

C16H24BrNO — CID 55036283

IUPAC2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
SMILESCNCC(OC1CCC(C)CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-12-3-9-15(10-4-12)19-16(11-18-2)13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3
InChIKeyONWOSXUGUIBTBI-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine

2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine (PubChem CID 55036283) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
PubChem CID55036283
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
SMILESCNCC(OC1CCC(C)CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-12-3-9-15(10-4-12)19-16(11-18-2)13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3
InChIKeyONWOSXUGUIBTBI-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
CID 62108098
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
CID 62105937
2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 64744560
N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63475863
2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
CID 106204927
N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
CID 63474259
2-(4-bromophenyl)-N-methyl-2-octoxyethanamine
CID 63476270
N-methyl-2-(oxan-4-yloxy)-2-phenylethanamine
CID 62107330
2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine
CID 62110378
2-(4-methoxyphenyl)-N-methyl-2-(3-methylcyclohexyl)oxyethanamine
CID 62110723
2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
CID 55036521

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine (CID 55036283) is 2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine is CNCC(OC1CCC(C)CC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine?
The InChIKey is ONWOSXUGUIBTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12-3-9-15(10-4-12)19-16(11-18-2)13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine?
2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine is sourced from PubChem (CID 55036283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).