1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol

C13H21BrN2O — CID 79384296

IUPAC1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1c(N)cccc1Br)CC(C)(C)O
InChIInChI=1S/C13H21BrN2O/c1-4-16(9-13(2,3)17)8-10-11(14)6-5-7-12(10)15/h5-7,17H,4,8-9,15H2,1-3H3
InChIKeyHQKUHBKWUWQATN-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.62
Rot. Bonds5

About 1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol

1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79384296) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79384296
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1c(N)cccc1Br)CC(C)(C)O
InChIInChI=1S/C13H21BrN2O/c1-4-16(9-13(2,3)17)8-10-11(14)6-5-7-12(10)15/h5-7,17H,4,8-9,15H2,1-3H3
InChIKeyHQKUHBKWUWQATN-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.62
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-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol (CID 79384296) is 1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol is CCN(Cc1c(N)cccc1Br)CC(C)(C)O.
What is the InChIKey of 1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is HQKUHBKWUWQATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-4-16(9-13(2,3)17)8-10-11(14)6-5-7-12(10)15/h5-7,17H,4,8-9,15H2,1-3H3.
What are the key properties of 1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol?
1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 301.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).