1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine

C12H18BrNO — CID 83988813

IUPAC1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine
SMILESCC(C)COc1ccc(Br)c(C(C)N)c1
InChIInChI=1S/C12H18BrNO/c1-8(2)7-15-10-4-5-12(13)11(6-10)9(3)14/h4-6,8-9H,7,14H2,1-3H3
InChIKeyWJSCHDOXLBNZQF-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.50
Rot. Bonds4

About 1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine

1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 83988813) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine
PubChem CID83988813
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine
SMILESCC(C)COc1ccc(Br)c(C(C)N)c1
InChIInChI=1S/C12H18BrNO/c1-8(2)7-15-10-4-5-12(13)11(6-10)9(3)14/h4-6,8-9H,7,14H2,1-3H3
InChIKeyWJSCHDOXLBNZQF-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline
CID 83988070
1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine
CID 82575836
1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine
CID 83988832
1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine
CID 105126878
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
2-(1-aminoethyl)-4-ethoxyphenol
CID 19748523
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82551989
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
CID 155925871
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine (CID 83988813) is 1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine is CC(C)COc1ccc(Br)c(C(C)N)c1.
What is the InChIKey of 1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is WJSCHDOXLBNZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8(2)7-15-10-4-5-12(13)11(6-10)9(3)14/h4-6,8-9H,7,14H2,1-3H3.
What are the key properties of 1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine?
1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 272.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 83988813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).