5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid

C15H23BrN2O2 — CID 114895528

IUPAC5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid
SMILESCC(C)CC(CN(C)C)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C15H23BrN2O2/c1-10(2)7-12(9-18(3)4)17-14-6-5-11(16)8-13(14)15(19)20/h5-6,8,10,12,17H,7,9H2,1-4H3,(H,19,20)
InChIKeyOOCPIZQAEMNPEP-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.54
Rot. Bonds7

About 5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid

5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid (PubChem CID 114895528) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid
PubChem CID114895528
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid
SMILESCC(C)CC(CN(C)C)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C15H23BrN2O2/c1-10(2)7-12(9-18(3)4)17-14-6-5-11(16)8-13(14)15(19)20/h5-6,8,10,12,17H,7,9H2,1-4H3,(H,19,20)
InChIKeyOOCPIZQAEMNPEP-UHFFFAOYSA-N
XLogP3.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid
CID 62516224
5-bromo-2-(4-methylpentan-2-ylamino)benzoic acid
CID 114895457
2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65483418
5-bromo-2-(3-methylbutan-2-ylamino)benzoic acid
CID 114895417
5-bromo-2-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62073341
5-bromo-2-(5-hydroxypentan-2-ylamino)benzoic acid
CID 114895909
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-fluorobenzenecarbothioamide
CID 63675070
5-bromo-2-(dimethylsulfamoylamino)benzoic acid
CID 55031300
5-bromo-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 114895973
1-[2-amino-4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]phenyl]ethanone
CID 104528581
5-bromo-2-[5-(diethylamino)pentan-2-ylamino]benzoic acid
CID 114895437
5-bromo-2-(ethylamino)benzoic acid
CID 12925315

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid?
The IUPAC name of 5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid (CID 114895528) is 5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid is CC(C)CC(CN(C)C)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid?
The InChIKey is OOCPIZQAEMNPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)7-12(9-18(3)4)17-14-6-5-11(16)8-13(14)15(19)20/h5-6,8,10,12,17H,7,9H2,1-4H3,(H,19,20).
What are the key properties of 5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid?
5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid has a molecular weight of 343.27 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid is sourced from PubChem (CID 114895528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).