1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine

C13H20BrNO2 — CID 117486842

IUPAC1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(Br)cc(CC(C)(C)N)c(OC)c1C
InChIInChI=1S/C13H20BrNO2/c1-8-11(16-4)9(7-13(2,3)15)6-10(14)12(8)17-5/h6H,7,15H2,1-5H3
InChIKeyYEPTXULKHSRINV-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.05
Rot. Bonds4

About 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine

1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine (PubChem CID 117486842) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
PubChem CID117486842
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(Br)cc(CC(C)(C)N)c(OC)c1C
InChIInChI=1S/C13H20BrNO2/c1-8-11(16-4)9(7-13(2,3)15)6-10(14)12(8)17-5/h6H,7,15H2,1-5H3
InChIKeyYEPTXULKHSRINV-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
CID 117465337
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117483351
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
CID 82623586
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
CID 117320492
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
CID 117437685
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine (CID 117486842) is 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine is COc1c(Br)cc(CC(C)(C)N)c(OC)c1C.
What is the InChIKey of 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is YEPTXULKHSRINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-8-11(16-4)9(7-13(2,3)15)6-10(14)12(8)17-5/h6H,7,15H2,1-5H3.
What are the key properties of 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine?
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine has a molecular weight of 302.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117486842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).