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

C13H21BrN2O2 — CID 116942465

IUPAC2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
SMILESCOc1c(C)c(C)c(Br)c(C)c1C(N)C(N)CO
InChIInChI=1S/C13H21BrN2O2/c1-6-7(2)13(18-4)10(8(3)11(6)14)12(16)9(15)5-17/h9,12,17H,5,15-16H2,1-4H3
InChIKeySFNZBXGPYHVTFZ-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.70
Rot. Bonds4

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

2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol (PubChem CID 116942465) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
PubChem CID116942465
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
SMILESCOc1c(C)c(C)c(Br)c(C)c1C(N)C(N)CO
InChIInChI=1S/C13H21BrN2O2/c1-6-7(2)13(18-4)10(8(3)11(6)14)12(16)9(15)5-17/h9,12,17H,5,15-16H2,1-4H3
InChIKeySFNZBXGPYHVTFZ-UHFFFAOYSA-N
XLogP1.70
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116859290
3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116848856
4-amino-4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butanenitrile
CID 116940096
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116855759
(E)-4-amino-4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)but-2-enoic acid
CID 116940947
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-chloro-N-methylethanamine
CID 116952703
1-[amino-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116943037
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116928722
2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
CID 117115320
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine
CID 116834918
3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-(dimethylamino)propanenitrile
CID 116910004
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol (CID 116942465) is 2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol is COc1c(C)c(C)c(Br)c(C)c1C(N)C(N)CO.
What is the InChIKey of 2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is SFNZBXGPYHVTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-6-7(2)13(18-4)10(8(3)11(6)14)12(16)9(15)5-17/h9,12,17H,5,15-16H2,1-4H3.
What are the key properties of 2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 317.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 116942465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).