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

C12H17Br2NO — CID 107955052

IUPAC2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol
SMILESCCCC(CN)C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO/c1-2-3-8(7-15)12(16)10-5-4-9(13)6-11(10)14/h4-6,8,12,16H,2-3,7,15H2,1H3
InChIKeyQGJFONWSLMDEGM-UHFFFAOYSA-N
MW351.08 g/mol
LogP3.62
Rot. Bonds5

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

2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol (PubChem CID 107955052) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol
PubChem CID107955052
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol
SMILESCCCC(CN)C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO/c1-2-3-8(7-15)12(16)10-5-4-9(13)6-11(10)14/h4-6,8,12,16H,2-3,7,15H2,1H3
InChIKeyQGJFONWSLMDEGM-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol (CID 107955052) is 2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol is CCCC(CN)C(O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol?
The InChIKey is QGJFONWSLMDEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-2-3-8(7-15)12(16)10-5-4-9(13)6-11(10)14/h4-6,8,12,16H,2-3,7,15H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol?
2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol has a molecular weight of 351.08 g/mol, XLogP of 3.62, 5 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)pentan-1-ol is sourced from PubChem (CID 107955052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).