3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol

C10H13Br2NO — CID 107955003

IUPAC3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H13Br2NO/c1-6(5-13)10(14)8-3-2-7(11)4-9(8)12/h2-4,6,10,14H,5,13H2,1H3
InChIKeyXBZSBIHNLIXMBJ-UHFFFAOYSA-N
MW323.03 g/mol
LogP2.84
Rot. Bonds3

About 3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol

3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol (PubChem CID 107955003) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is 3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol
PubChem CID107955003
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H13Br2NO/c1-6(5-13)10(14)8-3-2-7(11)4-9(8)12/h2-4,6,10,14H,5,13H2,1H3
InChIKeyXBZSBIHNLIXMBJ-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol
CID 107955010
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol
CID 107955052
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107954980
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
2-(aminomethyl)-1-(2-bromo-4-fluorophenyl)-3-methylbutan-1-ol
CID 65185535
2-(aminomethyl)-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 65185739
2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol
CID 65185943
(2,4-dibromophenyl)-(3-ethylphenyl)methanol
CID 107947696
3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol
CID 81308238
3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol (CID 107955003) is 3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol is CC(CN)C(O)c1ccc(Br)cc1Br.
What is the InChIKey of 3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol?
The InChIKey is XBZSBIHNLIXMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c1-6(5-13)10(14)8-3-2-7(11)4-9(8)12/h2-4,6,10,14H,5,13H2,1H3.
What are the key properties of 3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol?
3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol has a molecular weight of 323.03 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 107955003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).