2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol

C14H20BrNO2 — CID 171212893

IUPAC2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol
SMILESCOc1cc(Br)cc([C@H](N)C2CCCCC2)c1O
InChIInChI=1S/C14H20BrNO2/c1-18-12-8-10(15)7-11(14(12)17)13(16)9-5-3-2-4-6-9/h7-9,13,17H,2-6,16H2,1H3/t13-/m1/s1
InChIKeyFXTWORZYUQCGRA-CYBMUJFWSA-N
MW314.22 g/mol
LogP3.74
Rot. Bonds3

About 2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol

2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol (PubChem CID 171212893) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol
PubChem CID171212893
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol
SMILESCOc1cc(Br)cc([C@H](N)C2CCCCC2)c1O
InChIInChI=1S/C14H20BrNO2/c1-18-12-8-10(15)7-11(14(12)17)13(16)9-5-3-2-4-6-9/h7-9,13,17H,2-6,16H2,1H3/t13-/m1/s1
InChIKeyFXTWORZYUQCGRA-CYBMUJFWSA-N
XLogP3.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171264826
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171264824
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256025
4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171215506
3-[(S)-amino(cyclopentyl)methyl]-4-hydroxy-5-methoxybenzonitrile
CID 171254969
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
3-[(S)-amino(cyclohexyl)methyl]-5-bromo-2-hydroxybenzoic acid;hydrochloride
CID 171255082
2-[(S)-amino(cyclopentyl)methyl]-4-bromo-6-chlorophenol
CID 131586539
2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol
CID 131256962
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol
CID 131534565
3-[(S)-amino(cyclopentyl)methyl]-5-bromo-2-hydroxybenzoic acid;hydrochloride
CID 171255080

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol?
The IUPAC name of 2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol (CID 171212893) is 2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol.
What is the SMILES notation for 2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol?
The canonical SMILES for 2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol is COc1cc(Br)cc([C@H](N)C2CCCCC2)c1O.
What is the InChIKey of 2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol?
The InChIKey is FXTWORZYUQCGRA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-18-12-8-10(15)7-11(14(12)17)13(16)9-5-3-2-4-6-9/h7-9,13,17H,2-6,16H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol?
2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol has a molecular weight of 314.22 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol is sourced from PubChem (CID 171212893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).