2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine

C16H24BrNO — CID 63403440

IUPAC2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CCOc2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrNO/c1-2-12-3-8-16(18)13(11-12)9-10-19-15-6-4-14(17)5-7-15/h4-7,12-13,16H,2-3,8-11,18H2,1H3
InChIKeyMRPVMALPRZIEIA-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.37
Rot. Bonds5

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

2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine (PubChem CID 63403440) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine
PubChem CID63403440
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CCOc2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrNO/c1-2-12-3-8-16(18)13(11-12)9-10-19-15-6-4-14(17)5-7-15/h4-7,12-13,16H,2-3,8-11,18H2,1H3
InChIKeyMRPVMALPRZIEIA-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 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 ≤ 54.37
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-ethylcyclohexan-1-amine?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine (CID 63403440) is 2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(CCOc2ccc(Br)cc2)C1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine?
The InChIKey is MRPVMALPRZIEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-12-3-8-16(18)13(11-12)9-10-19-15-6-4-14(17)5-7-15/h4-7,12-13,16H,2-3,8-11,18H2,1H3.
What are the key properties of 2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine?
2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.37, 5 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-ethylcyclohexan-1-amine is sourced from PubChem (CID 63403440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).