2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol

C11H15Br2NO — CID 107955010

IUPAC2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2NO/c1-2-7(6-14)11(15)9-4-3-8(12)5-10(9)13/h3-5,7,11,15H,2,6,14H2,1H3
InChIKeyOLMAKANZVTWXCG-UHFFFAOYSA-N
MW337.06 g/mol
LogP3.23
Rot. Bonds4

About 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol

2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol (PubChem CID 107955010) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol
PubChem CID107955010
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC Name2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2NO/c1-2-7(6-14)11(15)9-4-3-8(12)5-10(9)13/h3-5,7,11,15H,2,6,14H2,1H3
InChIKeyOLMAKANZVTWXCG-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol 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-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol
CID 107955052
2-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]butan-1-ol
CID 107333682
3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol
CID 107955003
2-(aminomethyl)-1-(2-chloro-4-methylphenyl)butan-1-ol
CID 106864336
2-(aminomethyl)-1-(2,4-difluorophenyl)butan-1-ol
CID 65187853
3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107954980
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 65188070
2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol
CID 65188119
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol (CID 107955010) is 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol is CCC(CN)C(O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol?
The InChIKey is OLMAKANZVTWXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-2-7(6-14)11(15)9-4-3-8(12)5-10(9)13/h3-5,7,11,15H,2,6,14H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol?
2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol has a molecular weight of 337.06 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol is sourced from PubChem (CID 107955010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).