1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine

C12H18BrNO — CID 112705506

IUPAC1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1cc(Br)ccc1C(N)C(C)(C)C
InChIInChI=1S/C12H18BrNO/c1-12(2,3)11(14)9-6-5-8(13)7-10(9)15-4/h5-7,11H,14H2,1-4H3
InChIKeyUEAOLEYCTXPTLG-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.50
Rot. Bonds2

About 1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine

1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 112705506) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
PubChem CID112705506
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1cc(Br)ccc1C(N)C(C)(C)C
InChIInChI=1S/C12H18BrNO/c1-12(2,3)11(14)9-6-5-8(13)7-10(9)15-4/h5-7,11H,14H2,1-4H3
InChIKeyUEAOLEYCTXPTLG-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 171246095
1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine
CID 114210883
1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine
CID 112705508
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(1S)-1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171239119
(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 171204790
(1R)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171204798

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine (CID 112705506) is 1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine is COc1cc(Br)ccc1C(N)C(C)(C)C.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is UEAOLEYCTXPTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-12(2,3)11(14)9-6-5-8(13)7-10(9)15-4/h5-7,11H,14H2,1-4H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine?
1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 112705506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).