2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine

C12H17Br2NO — CID 107739581

IUPAC2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine
SMILESCCC(C)Oc1c(Br)cc(CCN)cc1Br
InChIInChI=1S/C12H17Br2NO/c1-3-8(2)16-12-10(13)6-9(4-5-15)7-11(12)14/h6-8H,3-5,15H2,1-2H3
InChIKeyIHZHHSXXDHTACN-UHFFFAOYSA-N
MW351.08 g/mol
LogP3.89
Rot. Bonds5

About 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine

2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine (PubChem CID 107739581) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine
PubChem CID107739581
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine
SMILESCCC(C)Oc1c(Br)cc(CCN)cc1Br
InChIInChI=1S/C12H17Br2NO/c1-3-8(2)16-12-10(13)6-9(4-5-15)7-11(12)14/h6-8H,3-5,15H2,1-2H3
InChIKeyIHZHHSXXDHTACN-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine
CID 54930550
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide
CID 107739613
(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
CID 107741402
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide
CID 107739637
2-[3,5-difluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 79887834
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide
CID 107739572
ethyl 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetate
CID 107739477
1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
CID 79887538
2-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60906103
2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906399
2-[3,5-dibromo-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 107739678
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide
CID 107739480

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine (CID 107739581) is 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine is CCC(C)Oc1c(Br)cc(CCN)cc1Br.
What is the InChIKey of 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine?
The InChIKey is IHZHHSXXDHTACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-3-8(2)16-12-10(13)6-9(4-5-15)7-11(12)14/h6-8H,3-5,15H2,1-2H3.
What are the key properties of 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine?
2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine has a molecular weight of 351.08 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 107739581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).