4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol

C12H16BrNO2 — CID 131552717

IUPAC4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol
SMILESN[C@@H](c1ccc(O)c(Br)c1)C1CCOCC1
InChIInChI=1S/C12H16BrNO2/c13-10-7-9(1-2-11(10)15)12(14)8-3-5-16-6-4-8/h1-2,7-8,12,15H,3-6,14H2/t12-/m1/s1
InChIKeyCGNNZOJJYWKNTF-GFCCVEGCSA-N
MW286.17 g/mol
LogP2.58
Rot. Bonds2

About 4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol

4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol (PubChem CID 131552717) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol.

Molecular Properties

Compound Name4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol
PubChem CID131552717
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol
SMILESN[C@@H](c1ccc(O)c(Br)c1)C1CCOCC1
InChIInChI=1S/C12H16BrNO2/c13-10-7-9(1-2-11(10)15)12(14)8-3-5-16-6-4-8/h1-2,7-8,12,15H,3-6,14H2/t12-/m1/s1
InChIKeyCGNNZOJJYWKNTF-GFCCVEGCSA-N
XLogP2.58
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
(5-bromofuran-3-yl)-(oxan-4-yl)methanamine
CID 126999345
5-[(R)-amino(oxan-4-yl)methyl]benzene-1,3-diol;hydrochloride
CID 171246230
(R)-naphthalen-2-yl(oxan-4-yl)methanamine
CID 171246771
2-[(R)-amino(oxan-4-yl)methyl]-3,6-dibromophenol;hydrochloride
CID 171256660
4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
CID 171198097
(R)-naphthalen-2-yl(oxan-4-yl)methanamine;hydrochloride
CID 171246772
(S)-(6-bromo-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240760
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol?
The IUPAC name of 4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol (CID 131552717) is 4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol.
What is the SMILES notation for 4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol?
The canonical SMILES for 4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol is N[C@@H](c1ccc(O)c(Br)c1)C1CCOCC1.
What is the InChIKey of 4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol?
The InChIKey is CGNNZOJJYWKNTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-10-7-9(1-2-11(10)15)12(14)8-3-5-16-6-4-8/h1-2,7-8,12,15H,3-6,14H2/t12-/m1/s1.
What are the key properties of 4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol?
4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol has a molecular weight of 286.17 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol is sourced from PubChem (CID 131552717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).