(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine

C11H16BrNO — CID 94231283

IUPAC(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(Br)cc1CC[C@@H](C)N
InChIInChI=1S/C11H16BrNO/c1-8(13)3-4-9-7-10(12)5-6-11(9)14-2/h5-8H,3-4,13H2,1-2H3/t8-/m1/s1
InChIKeyOGXYBDFAUTURMV-MRVPVSSYSA-N
MW258.16 g/mol
LogP2.74
Rot. Bonds4

About (2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine

(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine (PubChem CID 94231283) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is (2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
PubChem CID94231283
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(Br)cc1CC[C@@H](C)N
InChIInChI=1S/C11H16BrNO/c1-8(13)3-4-9-7-10(12)5-6-11(9)14-2/h5-8H,3-4,13H2,1-2H3/t8-/m1/s1
InChIKeyOGXYBDFAUTURMV-MRVPVSSYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
CID 63355272
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide
CID 115156776
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
CID 131320571
4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene
CID 62319479
N-(3-aminobutyl)-2-(5-bromo-2-methoxyphenyl)acetamide
CID 119497012
2-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-N,3-dimethylbutane-1,2-diamine
CID 115138344
4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850
4-bromo-2-(3-chloro-3-phenylpropyl)-1-methoxybenzene
CID 63460540
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759645
2-(3-aminobutyl)-5-bromophenol
CID 130001244

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine?
The IUPAC name of (2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine (CID 94231283) is (2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine.
What is the SMILES notation for (2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine?
The canonical SMILES for (2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine is COc1ccc(Br)cc1CC[C@@H](C)N.
What is the InChIKey of (2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine?
The InChIKey is OGXYBDFAUTURMV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(13)3-4-9-7-10(12)5-6-11(9)14-2/h5-8H,3-4,13H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine?
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine has a molecular weight of 258.16 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 94231283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).