1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine

C13H20BrNO — CID 104657289

IUPAC1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCCOc1ccc(C(N)C(C)(C)C)cc1Br
InChIInChI=1S/C13H20BrNO/c1-5-16-11-7-6-9(8-10(11)14)12(15)13(2,3)4/h6-8,12H,5,15H2,1-4H3
InChIKeyRULSYVJGMGERSY-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.89
Rot. Bonds3

About 1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine

1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 104657289) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
PubChem CID104657289
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCCOc1ccc(C(N)C(C)(C)C)cc1Br
InChIInChI=1S/C13H20BrNO/c1-5-16-11-7-6-9(8-10(11)14)12(15)13(2,3)4/h6-8,12H,5,15H2,1-4H3
InChIKeyRULSYVJGMGERSY-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 113438055
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 104657719
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
1-(3-bromo-4-ethoxyphenyl)heptan-1-amine
CID 114752689
1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874622
1-(3-bromo-4-ethoxyphenyl)nonan-1-amine
CID 104657385
1-(3-bromo-4-ethoxyphenyl)decan-1-amine
CID 104657345
1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 104657305
(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
CID 104657309
1-(3-bromo-4-propoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 104657853

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine (CID 104657289) is 1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine is CCOc1ccc(C(N)C(C)(C)C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is RULSYVJGMGERSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-5-16-11-7-6-9(8-10(11)14)12(15)13(2,3)4/h6-8,12H,5,15H2,1-4H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine?
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 104657289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).