3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol

C15H15BrClNO — CID 65186243

IUPAC3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
SMILESNCC(c1ccccc1)C(O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H15BrClNO/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
InChIKeyPCFQRLFOZIGSHL-UHFFFAOYSA-N
MW340.65 g/mol
LogP3.88
Rot. Bonds4

About 3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol

3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol (PubChem CID 65186243) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
PubChem CID65186243
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
SMILESNCC(c1ccccc1)C(O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H15BrClNO/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
InChIKeyPCFQRLFOZIGSHL-UHFFFAOYSA-N
XLogP3.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 65184471
3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
CID 65186386
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
CID 65186668
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 115370271
3-amino-1-(4-bromo-3-chlorophenyl)-2-phenylpropan-1-ol
CID 81307524
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol (CID 65186243) is 3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol is NCC(c1ccccc1)C(O)c1cc(Br)ccc1Cl.
What is the InChIKey of 3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol?
The InChIKey is PCFQRLFOZIGSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/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-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol?
3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol has a molecular weight of 340.65 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 65186243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).