1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine

C13H20BrNO2 — CID 105044773

IUPAC1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)c1ccc(Br)cc1OC
InChIInChI=1S/C13H20BrNO2/c1-9(6-7-16-2)13(15)11-5-4-10(14)8-12(11)17-3/h4-5,8-9,13H,6-7,15H2,1-3H3
InChIKeyDJQOXYAHKOQRRL-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.13
Rot. Bonds6

About 1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine

1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine (PubChem CID 105044773) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
PubChem CID105044773
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)c1ccc(Br)cc1OC
InChIInChI=1S/C13H20BrNO2/c1-9(6-7-16-2)13(15)11-5-4-10(14)8-12(11)17-3/h4-5,8-9,13H,6-7,15H2,1-3H3
InChIKeyDJQOXYAHKOQRRL-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
1-(5-bromo-2-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116934007
1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044751
(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 171204790
(1S)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171224371
(1R)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171204798
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine (CID 105044773) is 1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine is COCCC(C)C(N)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
The InChIKey is DJQOXYAHKOQRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-9(6-7-16-2)13(15)11-5-4-10(14)8-12(11)17-3/h4-5,8-9,13H,6-7,15H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine?
1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine has a molecular weight of 302.21 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105044773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).