(1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol

C11H16Br2N2O2 — CID 162982212

IUPAC(1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol
SMILESNCCCOc1c(Br)cc([C@@H](O)CN)cc1Br
InChIInChI=1S/C11H16Br2N2O2/c12-8-4-7(10(16)6-15)5-9(13)11(8)17-3-1-2-14/h4-5,10,16H,1-3,6,14-15H2/t10-/m0/s1
InChIKeyLDAZBBKQQALEAP-JTQLQIEISA-N
MW368.07 g/mol
LogP1.93
Rot. Bonds6

About (1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol

(1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol (PubChem CID 162982212) has the molecular formula C11H16Br2N2O2 and a molecular weight of 368.07 g/mol. Its IUPAC name is (1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol
PubChem CID162982212
Molecular FormulaC11H16Br2N2O2
Molecular Weight368.07 g/mol
Exact Mass365.96
IUPAC Name(1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol
SMILESNCCCOc1c(Br)cc([C@@H](O)CN)cc1Br
InChIInChI=1S/C11H16Br2N2O2/c12-8-4-7(10(16)6-15)5-9(13)11(8)17-3-1-2-14/h4-5,10,16H,1-3,6,14-15H2/t10-/m0/s1
InChIKeyLDAZBBKQQALEAP-JTQLQIEISA-N
XLogP1.93
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol?
The IUPAC name of (1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol (CID 162982212) is (1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol.
What is the SMILES notation for (1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol?
The canonical SMILES for (1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol is NCCCOc1c(Br)cc([C@@H](O)CN)cc1Br.
What is the InChIKey of (1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol?
The InChIKey is LDAZBBKQQALEAP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16Br2N2O2/c12-8-4-7(10(16)6-15)5-9(13)11(8)17-3-1-2-14/h4-5,10,16H,1-3,6,14-15H2/t10-/m0/s1.
What are the key properties of (1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol?
(1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol has a molecular weight of 368.07 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethanol is sourced from PubChem (CID 162982212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).