3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol

C15H14Br2ClNO — CID 107955038

IUPAC3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol
SMILESNCC(c1ccccc1Br)C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c16-10-5-9(6-11(18)7-10)15(20)13(8-19)12-3-1-2-4-14(12)17/h1-7,13,15,20H,8,19H2
InChIKeyQFPYCSHIOJRQEI-UHFFFAOYSA-N
MW419.54 g/mol
LogP4.64
Rot. Bonds4

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

3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol (PubChem CID 107955038) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol
PubChem CID107955038
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol
SMILESNCC(c1ccccc1Br)C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c16-10-5-9(6-11(18)7-10)15(20)13(8-19)12-3-1-2-4-14(12)17/h1-7,13,15,20H,8,19H2
InChIKeyQFPYCSHIOJRQEI-UHFFFAOYSA-N
XLogP4.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 107954971
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
(R)-(2-bromophenyl)-(3,5-dichlorophenyl)methanol
CID 97293471
(3-bromo-5-chlorophenyl)-(2-chlorophenyl)methanol
CID 107947286
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol
CID 65309758
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
CID 107981145
2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol
CID 107954978
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
3-amino-1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65189681
3-amino-2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol (CID 107955038) is 3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol is NCC(c1ccccc1Br)C(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol?
The InChIKey is QFPYCSHIOJRQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c16-10-5-9(6-11(18)7-10)15(20)13(8-19)12-3-1-2-4-14(12)17/h1-7,13,15,20H,8,19H2.
What are the key properties of 3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol?
3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol has a molecular weight of 419.54 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol is sourced from PubChem (CID 107955038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).