1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

C12H17BrClNO — CID 82774226

IUPAC1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(NOC(C)(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClNO/c1-8(15-16-12(2,3)4)10-6-5-9(13)7-11(10)14/h5-8,15H,1-4H3
InChIKeyAOQQDTUSPGMJCG-UHFFFAOYSA-N
MW306.63 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 82774226) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID82774226
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(NOC(C)(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClNO/c1-8(15-16-12(2,3)4)10-6-5-9(13)7-11(10)14/h5-8,15H,1-4H3
InChIKeyAOQQDTUSPGMJCG-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720321
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460430
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine
CID 82780847
1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine
CID 112705508
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-cyano-3,3-dimethylbutanamide
CID 67796278
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 82774817

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (CID 82774226) is 1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is CC(NOC(C)(C)C)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is AOQQDTUSPGMJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-8(15-16-12(2,3)4)10-6-5-9(13)7-11(10)14/h5-8,15H,1-4H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 306.63 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 82774226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).