1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride

C14H23Br2ClN2O — CID 70405130

IUPAC1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride
SMILESCC(C)N(CC(O)c1cc(Br)c(N)c(Br)c1)C(C)C.Cl
InChIInChI=1S/C14H22Br2N2O.ClH/c1-8(2)18(9(3)4)7-13(19)10-5-11(15)14(17)12(16)6-10;/h5-6,8-9,13,19H,7,17H2,1-4H3;1H
InChIKeyZKMRVKZIXFSYMW-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.37
Rot. Bonds5

About 1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride

1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride (PubChem CID 70405130) has the molecular formula C14H23Br2ClN2O and a molecular weight of 430.61 g/mol. Its IUPAC name is 1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride
PubChem CID70405130
Molecular FormulaC14H23Br2ClN2O
Molecular Weight430.61 g/mol
Exact Mass427.99
IUPAC Name1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride
SMILESCC(C)N(CC(O)c1cc(Br)c(N)c(Br)c1)C(C)C.Cl
InChIInChI=1S/C14H22Br2N2O.ClH/c1-8(2)18(9(3)4)7-13(19)10-5-11(15)14(17)12(16)6-10;/h5-6,8-9,13,19H,7,17H2,1-4H3;1H
InChIKeyZKMRVKZIXFSYMW-UHFFFAOYSA-N
XLogP4.37
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride?
The IUPAC name of 1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride (CID 70405130) is 1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride?
The canonical SMILES for 1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride is CC(C)N(CC(O)c1cc(Br)c(N)c(Br)c1)C(C)C.Cl.
What is the InChIKey of 1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride?
The InChIKey is ZKMRVKZIXFSYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Br2N2O.ClH/c1-8(2)18(9(3)4)7-13(19)10-5-11(15)14(17)12(16)6-10;/h5-6,8-9,13,19H,7,17H2,1-4H3;1H.
What are the key properties of 1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride?
1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride has a molecular weight of 430.61 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dibromophenyl)-2-[di(propan-2-yl)amino]ethanol;hydrochloride is sourced from PubChem (CID 70405130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).