2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine

C15H22BrNO — CID 55015654

IUPAC2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine
SMILESCC1CCCC(OC(CN)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrNO/c1-11-3-2-4-14(9-11)18-15(10-17)12-5-7-13(16)8-6-12/h5-8,11,14-15H,2-4,9-10,17H2,1H3
InChIKeyDOWVOGXWMZHHDJ-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine

2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine (PubChem CID 55015654) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine
PubChem CID55015654
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine
SMILESCC1CCCC(OC(CN)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrNO/c1-11-3-2-4-14(9-11)18-15(10-17)12-5-7-13(16)8-6-12/h5-8,11,14-15H,2-4,9-10,17H2,1H3
InChIKeyDOWVOGXWMZHHDJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine (CID 55015654) is 2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine is CC1CCCC(OC(CN)c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine?
The InChIKey is DOWVOGXWMZHHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11-3-2-4-14(9-11)18-15(10-17)12-5-7-13(16)8-6-12/h5-8,11,14-15H,2-4,9-10,17H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine?
2-(4-bromophenyl)-2-(3-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-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine is sourced from PubChem (CID 55015654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).