4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol

C12H18BrNO — CID 84713316

IUPAC4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol
SMILESCNCCc1cc(Br)c(C(C)C)cc1O
InChIInChI=1S/C12H18BrNO/c1-8(2)10-7-12(15)9(4-5-14-3)6-11(10)13/h6-8,14-15H,4-5H2,1-3H3
InChIKeyZLKRTJOLLLPDCV-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.04
Rot. Bonds4

About 4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol

4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol (PubChem CID 84713316) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol
PubChem CID84713316
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol
SMILESCNCCc1cc(Br)c(C(C)C)cc1O
InChIInChI=1S/C12H18BrNO/c1-8(2)10-7-12(15)9(4-5-14-3)6-11(10)13/h6-8,14-15H,4-5H2,1-3H3
InChIKeyZLKRTJOLLLPDCV-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol
CID 117435110
3-(5-bromo-2-hydroxy-4-propan-2-ylphenyl)propanoic acid
CID 102100748
2-(3-aminopropyl)-4-bromo-5-propan-2-ylphenol
CID 117433020
4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 117465267
2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine
CID 83901309
2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol
CID 83900216
4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117435150
2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117433028
3-bromo-6-[2-(methylamino)ethyl]benzene-1,2-diol
CID 117367015
2-(4-bromo-5-propan-2-ylfuran-2-yl)-N-methylethanamine
CID 83843679
2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117461466
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol?
The IUPAC name of 4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol (CID 84713316) is 4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol.
What is the SMILES notation for 4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol?
The canonical SMILES for 4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol is CNCCc1cc(Br)c(C(C)C)cc1O.
What is the InChIKey of 4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol?
The InChIKey is ZLKRTJOLLLPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8(2)10-7-12(15)9(4-5-14-3)6-11(10)13/h6-8,14-15H,4-5H2,1-3H3.
What are the key properties of 4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol?
4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol has a molecular weight of 272.19 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol is sourced from PubChem (CID 84713316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).