3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol

C11H16BrNO2 — CID 115872019

IUPAC3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
SMILESCOc1ccc(Br)c(NCC(C)CO)c1
InChIInChI=1S/C11H16BrNO2/c1-8(7-14)6-13-11-5-9(15-2)3-4-10(11)12/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyGPRRNFJWNMUMAM-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.50
Rot. Bonds5

About 3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol

3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol (PubChem CID 115872019) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
PubChem CID115872019
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
SMILESCOc1ccc(Br)c(NCC(C)CO)c1
InChIInChI=1S/C11H16BrNO2/c1-8(7-14)6-13-11-5-9(15-2)3-4-10(11)12/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyGPRRNFJWNMUMAM-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
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3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol
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3-(2-bromo-5-methoxyanilino)-2,2-dimethylpropanoic acid
CID 79624596
2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
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2-bromo-5-methoxy-N-(3-methoxy-3-methylbutan-2-yl)aniline
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2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol (CID 115872019) is 3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol is COc1ccc(Br)c(NCC(C)CO)c1.
What is the InChIKey of 3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol?
The InChIKey is GPRRNFJWNMUMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-8(7-14)6-13-11-5-9(15-2)3-4-10(11)12/h3-5,8,13-14H,6-7H2,1-2H3.
What are the key properties of 3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol?
3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol has a molecular weight of 274.16 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 115872019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).