2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine

C17H26BrNO — CID 63403442

IUPAC2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(CCOc2ccc(Br)cc2)C1
InChIInChI=1S/C17H26BrNO/c1-3-13-4-9-17(19-2)14(12-13)10-11-20-16-7-5-15(18)6-8-16/h5-8,13-14,17,19H,3-4,9-12H2,1-2H3
InChIKeyHWUXIHJYTOVCMO-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.63
Rot. Bonds6

About 2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine

2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 63403442) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID63403442
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(CCOc2ccc(Br)cc2)C1
InChIInChI=1S/C17H26BrNO/c1-3-13-4-9-17(19-2)14(12-13)10-11-20-16-7-5-15(18)6-8-16/h5-8,13-14,17,19H,3-4,9-12H2,1-2H3
InChIKeyHWUXIHJYTOVCMO-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine (CID 63403442) is 2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(CCOc2ccc(Br)cc2)C1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is HWUXIHJYTOVCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-13-4-9-17(19-2)14(12-13)10-11-20-16-7-5-15(18)6-8-16/h5-8,13-14,17,19H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine?
2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63403442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).