2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol

C15H22BrNO2 — CID 62368559

IUPAC2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol
SMILESCNC(C)c1cc(Br)ccc1OC1CCCCC1O
InChIInChI=1S/C15H22BrNO2/c1-10(17-2)12-9-11(16)7-8-14(12)19-15-6-4-3-5-13(15)18/h7-10,13,15,17-18H,3-6H2,1-2H3
InChIKeyFQUVBINWXULDNC-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.41
Rot. Bonds4

About 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol

2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol (PubChem CID 62368559) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol
PubChem CID62368559
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol
SMILESCNC(C)c1cc(Br)ccc1OC1CCCCC1O
InChIInChI=1S/C15H22BrNO2/c1-10(17-2)12-9-11(16)7-8-14(12)19-15-6-4-3-5-13(15)18/h7-10,13,15,17-18H,3-6H2,1-2H3
InChIKeyFQUVBINWXULDNC-UHFFFAOYSA-N
XLogP3.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
CID 82926596
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
CID 63367803
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 102947682
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
CID 102732484
trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
CID 102735528
5-bromo-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 83145004
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]cyclopentan-1-ol
CID 60889044
1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863014
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol
CID 60877742
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol (CID 62368559) is 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol is CNC(C)c1cc(Br)ccc1OC1CCCCC1O.
What is the InChIKey of 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol?
The InChIKey is FQUVBINWXULDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10(17-2)12-9-11(16)7-8-14(12)19-15-6-4-3-5-13(15)18/h7-10,13,15,17-18H,3-6H2,1-2H3.
What are the key properties of 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol?
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol has a molecular weight of 328.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 62368559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).