2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol

C13H20BrNO2 — CID 116859290

IUPAC2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
SMILESCOc1c(C)c(C)c(Br)c(C)c1CC(N)CO
InChIInChI=1S/C13H20BrNO2/c1-7-8(2)13(17-4)11(5-10(15)6-16)9(3)12(7)14/h10,16H,5-6,15H2,1-4H3
InChIKeyUOHPIEVHMREBBI-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol

2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol (PubChem CID 116859290) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
PubChem CID116859290
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
SMILESCOc1c(C)c(C)c(Br)c(C)c1CC(N)CO
InChIInChI=1S/C13H20BrNO2/c1-7-8(2)13(17-4)11(5-10(15)6-16)9(3)12(7)14/h10,16H,5-6,15H2,1-4H3
InChIKeyUOHPIEVHMREBBI-UHFFFAOYSA-N
XLogP2.25
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-amine
CID 117486813
2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116942465
1-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-1-amine
CID 116924825
2-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methylamino]ethanol
CID 115216219
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115261045
[1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol
CID 116929655
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
N'-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 115195356
3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116926550
(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 141408194

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol (CID 116859290) is 2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol is COc1c(C)c(C)c(Br)c(C)c1CC(N)CO.
What is the InChIKey of 2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is UOHPIEVHMREBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-7-8(2)13(17-4)11(5-10(15)6-16)9(3)12(7)14/h10,16H,5-6,15H2,1-4H3.
What are the key properties of 2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 302.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 116859290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).