4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride

C14H20Br2ClNO2 — CID 171215506

IUPAC4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
SMILESCOc1cc([C@H](N)C2CCCCC2)c(Br)c(Br)c1O.Cl
InChIInChI=1S/C14H19Br2NO2.ClH/c1-19-10-7-9(11(15)12(16)14(10)18)13(17)8-5-3-2-4-6-8;/h7-8,13,18H,2-6,17H2,1H3;1H/t13-;/m1./s1
InChIKeyGDCQRGTZKRXPBC-BTQNPOSSSA-N
MW429.58 g/mol
LogP4.93
Rot. Bonds3

About 4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride

4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride (PubChem CID 171215506) has the molecular formula C14H20Br2ClNO2 and a molecular weight of 429.58 g/mol. Its IUPAC name is 4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
PubChem CID171215506
Molecular FormulaC14H20Br2ClNO2
Molecular Weight429.58 g/mol
Exact Mass426.95
IUPAC Name4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
SMILESCOc1cc([C@H](N)C2CCCCC2)c(Br)c(Br)c1O.Cl
InChIInChI=1S/C14H19Br2NO2.ClH/c1-19-10-7-9(11(15)12(16)14(10)18)13(17)8-5-3-2-4-6-8;/h7-8,13,18H,2-6,17H2,1H3;1H/t13-;/m1./s1
InChIKeyGDCQRGTZKRXPBC-BTQNPOSSSA-N
XLogP4.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.58
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-amino(oxan-4-yl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171251537
2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol
CID 171212893
4-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2,3-dibromo-6-methoxyphenol
CID 171265815
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256025
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
CID 171220298
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
2,3-dibromo-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxyphenol
CID 171283687
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171264826
4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
CID 171200758
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride (CID 171215506) is 4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride is COc1cc([C@H](N)C2CCCCC2)c(Br)c(Br)c1O.Cl.
What is the InChIKey of 4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
The InChIKey is GDCQRGTZKRXPBC-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H19Br2NO2.ClH/c1-19-10-7-9(11(15)12(16)14(10)18)13(17)8-5-3-2-4-6-8;/h7-8,13,18H,2-6,17H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride has a molecular weight of 429.58 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 171215506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).