3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol

C15H15Br2NO — CID 114376036

IUPAC3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
SMILESNCC(c1ccccc1)C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H15Br2NO/c16-11-6-7-14(17)12(8-11)15(19)13(9-18)10-4-2-1-3-5-10/h1-8,13,15,19H,9,18H2
InChIKeyVAFPNXAWNIFASU-UHFFFAOYSA-N
MW385.10 g/mol
LogP3.99
Rot. Bonds4

About 3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol

3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol (PubChem CID 114376036) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
PubChem CID114376036
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
SMILESNCC(c1ccccc1)C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H15Br2NO/c16-11-6-7-14(17)12(8-11)15(19)13(9-18)10-4-2-1-3-5-10/h1-8,13,15,19H,9,18H2
InChIKeyVAFPNXAWNIFASU-UHFFFAOYSA-N
XLogP3.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
CID 65186243
3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
CID 65186386
3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 115370271
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol
CID 65309758
3-amino-1-(4-bromo-3-chlorophenyl)-2-phenylpropan-1-ol
CID 81307524
3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-1-(2-bromo-5-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186180
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol (CID 114376036) is 3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol is NCC(c1ccccc1)C(O)c1cc(Br)ccc1Br.
What is the InChIKey of 3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol?
The InChIKey is VAFPNXAWNIFASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c16-11-6-7-14(17)12(8-11)15(19)13(9-18)10-4-2-1-3-5-10/h1-8,13,15,19H,9,18H2.
What are the key properties of 3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol?
3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol has a molecular weight of 385.10 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 114376036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).