2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine

C15H22BrNO — CID 55018005

IUPAC2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine
SMILESCC1CCCCC1OC(CN)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-11-5-2-3-8-14(11)18-15(10-17)12-6-4-7-13(16)9-12/h4,6-7,9,11,14-15H,2-3,5,8,10,17H2,1H3
InChIKeyJSAWDZLRJVKCAZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.04
Rot. Bonds4

About 2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine

2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine (PubChem CID 55018005) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine
PubChem CID55018005
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine
SMILESCC1CCCCC1OC(CN)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-11-5-2-3-8-14(11)18-15(10-17)12-6-4-7-13(16)9-12/h4,6-7,9,11,14-15H,2-3,5,8,10,17H2,1H3
InChIKeyJSAWDZLRJVKCAZ-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008
1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene
CID 55192868
2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200135
2-(3-chlorophenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 55036427
1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene
CID 63468801
N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine
CID 62108282
1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene
CID 165495012
3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65187919
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633
1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444453
2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
CID 102631647
2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine
CID 55020520

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine (CID 55018005) is 2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine is CC1CCCCC1OC(CN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine?
The InChIKey is JSAWDZLRJVKCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11-5-2-3-8-14(11)18-15(10-17)12-6-4-7-13(16)9-12/h4,6-7,9,11,14-15H,2-3,5,8,10,17H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine?
2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine has a molecular weight of 312.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine is sourced from PubChem (CID 55018005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).