5-(1-amino-4-methylpentan-3-yl)-2-bromophenol

C12H18BrNO — CID 84809703

IUPAC5-(1-amino-4-methylpentan-3-yl)-2-bromophenol
SMILESCC(C)C(CCN)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H18BrNO/c1-8(2)10(5-6-14)9-3-4-11(13)12(15)7-9/h3-4,7-8,10,15H,5-6,14H2,1-2H3
InChIKeyYIIMHXXAEYKRLO-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.24
Rot. Bonds4

About 5-(1-amino-4-methylpentan-3-yl)-2-bromophenol

5-(1-amino-4-methylpentan-3-yl)-2-bromophenol (PubChem CID 84809703) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-(1-amino-4-methylpentan-3-yl)-2-bromophenol.

Molecular Properties

Compound Name5-(1-amino-4-methylpentan-3-yl)-2-bromophenol
PubChem CID84809703
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name5-(1-amino-4-methylpentan-3-yl)-2-bromophenol
SMILESCC(C)C(CCN)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H18BrNO/c1-8(2)10(5-6-14)9-3-4-11(13)12(15)7-9/h3-4,7-8,10,15H,5-6,14H2,1-2H3
InChIKeyYIIMHXXAEYKRLO-UHFFFAOYSA-N
XLogP3.24
TPSA46.25 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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(1-amino-2-hydroxyethyl)-2-bromophenol
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(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
CID 899124
4-methyl-3-(4-propylphenyl)pentan-1-amine
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CID 82493432
3-(3-bromo-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
CID 84814431
2-(1-amino-4-methylpentan-3-yl)-3-fluorobenzene-1,4-diol
CID 84791489
N-[5-(1-amino-4-methylpentan-3-yl)-2-methoxyphenyl]acetamide
CID 112514061
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
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5-(1-aminobut-3-enyl)-2-bromophenol
CID 130043206

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-4-methylpentan-3-yl)-2-bromophenol?
The IUPAC name of 5-(1-amino-4-methylpentan-3-yl)-2-bromophenol (CID 84809703) is 5-(1-amino-4-methylpentan-3-yl)-2-bromophenol.
What is the SMILES notation for 5-(1-amino-4-methylpentan-3-yl)-2-bromophenol?
The canonical SMILES for 5-(1-amino-4-methylpentan-3-yl)-2-bromophenol is CC(C)C(CCN)c1ccc(Br)c(O)c1.
What is the InChIKey of 5-(1-amino-4-methylpentan-3-yl)-2-bromophenol?
The InChIKey is YIIMHXXAEYKRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8(2)10(5-6-14)9-3-4-11(13)12(15)7-9/h3-4,7-8,10,15H,5-6,14H2,1-2H3.
What are the key properties of 5-(1-amino-4-methylpentan-3-yl)-2-bromophenol?
5-(1-amino-4-methylpentan-3-yl)-2-bromophenol has a molecular weight of 272.19 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-4-methylpentan-3-yl)-2-bromophenol is sourced from PubChem (CID 84809703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).