2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride

C12H17BrClNO2 — CID 171257666

IUPAC2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride
SMILESCOc1cc(Br)c(O)c([C@H](N)C2CCC2)c1.Cl
InChIInChI=1S/C12H16BrNO2.ClH/c1-16-8-5-9(12(15)10(13)6-8)11(14)7-3-2-4-7;/h5-7,11,15H,2-4,14H2,1H3;1H/t11-;/m1./s1
InChIKeyYHPLHICCNAZACJ-RFVHGSKJSA-N
MW322.63 g/mol
LogP3.38
Rot. Bonds3

About 2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride

2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride (PubChem CID 171257666) has the molecular formula C12H17BrClNO2 and a molecular weight of 322.63 g/mol. Its IUPAC name is 2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride
PubChem CID171257666
Molecular FormulaC12H17BrClNO2
Molecular Weight322.63 g/mol
Exact Mass321.01
IUPAC Name2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride
SMILESCOc1cc(Br)c(O)c([C@H](N)C2CCC2)c1.Cl
InChIInChI=1S/C12H16BrNO2.ClH/c1-16-8-5-9(12(15)10(13)6-8)11(14)7-3-2-4-7;/h5-7,11,15H,2-4,14H2,1H3;1H/t11-;/m1./s1
InChIKeyYHPLHICCNAZACJ-RFVHGSKJSA-N
XLogP3.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 53.38
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-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol
CID 131534565
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
2-[(S)-amino(cyclohexyl)methyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253713
2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride
CID 171217183
3-[(S)-amino(cyclobutyl)methyl]-5-bromo-4-hydroxybenzoic acid
CID 171254794
2-[(R)-amino(cyclohexyl)methyl]-6-bromo-4-chlorophenol
CID 171257056
2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol
CID 171212893
(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
3-[(R)-amino(cyclohexyl)methyl]-5-bromo-4-hydroxybenzonitrile;hydrochloride
CID 171257806

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride (CID 171257666) is 2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride is COc1cc(Br)c(O)c([C@H](N)C2CCC2)c1.Cl.
What is the InChIKey of 2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride?
The InChIKey is YHPLHICCNAZACJ-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H16BrNO2.ClH/c1-16-8-5-9(12(15)10(13)6-8)11(14)7-3-2-4-7;/h5-7,11,15H,2-4,14H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride?
2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride has a molecular weight of 322.63 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride is sourced from PubChem (CID 171257666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).