1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine

C13H20BrNO2 — CID 117486813

IUPAC1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine
SMILESCOc1c(C)c(Br)c(C)c(CC(C)N)c1OC
InChIInChI=1S/C13H20BrNO2/c1-7(15)6-10-8(2)11(14)9(3)12(16-4)13(10)17-5/h7H,6,15H2,1-5H3
InChIKeyYFIRIMDRRCZBMC-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.97
Rot. Bonds4

About 1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine

1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine (PubChem CID 117486813) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine
PubChem CID117486813
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine
SMILESCOc1c(C)c(Br)c(C)c(CC(C)N)c1OC
InChIInChI=1S/C13H20BrNO2/c1-7(15)6-10-8(2)11(14)9(3)12(16-4)13(10)17-5/h7H,6,15H2,1-5H3
InChIKeyYFIRIMDRRCZBMC-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116859290
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116928722
1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-one
CID 117485028
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
CID 117361507
4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117445537
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809
1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
CID 90237354
1-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
4-(2-aminopropyl)-5-chloro-2,3-dimethoxybenzaldehyde
CID 117397772
1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
CID 83902067

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine (CID 117486813) is 1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine is COc1c(C)c(Br)c(C)c(CC(C)N)c1OC.
What is the InChIKey of 1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine?
The InChIKey is YFIRIMDRRCZBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-7(15)6-10-8(2)11(14)9(3)12(16-4)13(10)17-5/h7H,6,15H2,1-5H3.
What are the key properties of 1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine?
1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine has a molecular weight of 302.21 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 117486813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).