2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol

C13H19BrClNO — CID 66160950

IUPAC2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1cc(Cl)ccc1Br
InChIInChI=1S/C13H19BrClNO/c1-3-13(4-2,9-17)16-8-10-7-11(15)5-6-12(10)14/h5-7,16-17H,3-4,8-9H2,1-2H3
InChIKeyUFFMBALTNWZOOL-UHFFFAOYSA-N
MW320.66 g/mol
LogP3.74
Rot. Bonds6

About 2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol

2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol (PubChem CID 66160950) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is 2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol
PubChem CID66160950
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1cc(Cl)ccc1Br
InChIInChI=1S/C13H19BrClNO/c1-3-13(4-2,9-17)16-8-10-7-11(15)5-6-12(10)14/h5-7,16-17H,3-4,8-9H2,1-2H3
InChIKeyUFFMBALTNWZOOL-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-3-fluorophenyl)methylamino]-2-ethylbutan-1-ol
CID 79672182
2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62517659
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-methylpropanoate
CID 66159734
2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62523478
2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol
CID 65317553
2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol
CID 62517681
1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719676
2-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-ethylpropane-1,3-diol
CID 103527285
2-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]propane-1,3-diol
CID 113344545
N-[(5-chloro-2-nitrophenyl)methyl]-3-ethylpentan-3-amine
CID 79580653
2-[(2-chloro-4-nitrophenyl)methylamino]-2-ethylbutan-1-ol
CID 55082634

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol (CID 66160950) is 2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol is CCC(CC)(CO)NCc1cc(Cl)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol?
The InChIKey is UFFMBALTNWZOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO/c1-3-13(4-2,9-17)16-8-10-7-11(15)5-6-12(10)14/h5-7,16-17H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol?
2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol has a molecular weight of 320.66 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol is sourced from PubChem (CID 66160950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).