1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine

C14H22BrNO — CID 63892579

IUPAC1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
SMILESCOc1ccc(Br)cc1CC(N)CC(C)(C)C
InChIInChI=1S/C14H22BrNO/c1-14(2,3)9-12(16)8-10-7-11(15)5-6-13(10)17-4/h5-7,12H,8-9,16H2,1-4H3
InChIKeyGXHVQORAHKOFHM-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.76
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine

1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine (PubChem CID 63892579) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
PubChem CID63892579
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
SMILESCOc1ccc(Br)cc1CC(N)CC(C)(C)C
InChIInChI=1S/C14H22BrNO/c1-14(2,3)9-12(16)8-10-7-11(15)5-6-13(10)17-4/h5-7,12H,8-9,16H2,1-4H3
InChIKeyGXHVQORAHKOFHM-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092611
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 115816754
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747
4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66033395
3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530686
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759645

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine (CID 63892579) is 1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine is COc1ccc(Br)cc1CC(N)CC(C)(C)C.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The InChIKey is GXHVQORAHKOFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-14(2,3)9-12(16)8-10-7-11(15)5-6-13(10)17-4/h5-7,12H,8-9,16H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 63892579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).