4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine

C14H20BrNO2 — CID 65323031

IUPAC4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
SMILESCOc1ccc(Br)c(COC2CCC(N)CC2)c1
InChIInChI=1S/C14H20BrNO2/c1-17-13-6-7-14(15)10(8-13)9-18-12-4-2-11(16)3-5-12/h6-8,11-12H,2-5,9,16H2,1H3
InChIKeyYPTVKRSSDFGEGR-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.24
Rot. Bonds4

About 4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine

4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine (PubChem CID 65323031) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
PubChem CID65323031
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
SMILESCOc1ccc(Br)c(COC2CCC(N)CC2)c1
InChIInChI=1S/C14H20BrNO2/c1-17-13-6-7-14(15)10(8-13)9-18-12-4-2-11(16)3-5-12/h6-8,11-12H,2-5,9,16H2,1H3
InChIKeyYPTVKRSSDFGEGR-UHFFFAOYSA-N
XLogP3.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol
CID 106825540
4-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 102876123
1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
CID 65326385
1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene
CID 169291898
4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane
CID 113369276
3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65326004
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol
CID 80561589
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526
1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168715
3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 79465786

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine (CID 65323031) is 4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine is COc1ccc(Br)c(COC2CCC(N)CC2)c1.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine?
The InChIKey is YPTVKRSSDFGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-13-6-7-14(15)10(8-13)9-18-12-4-2-11(16)3-5-12/h6-8,11-12H,2-5,9,16H2,1H3.
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine?
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 65323031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).