2-bromo-6-(dipropylamino)benzoic acid

C13H18BrNO2 — CID 114888032

IUPAC2-bromo-6-(dipropylamino)benzoic acid
SMILESCCCN(CCC)c1cccc(Br)c1C(=O)O
InChIInChI=1S/C13H18BrNO2/c1-3-8-15(9-4-2)11-7-5-6-10(14)12(11)13(16)17/h5-7H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyCCTQLRQRWHGRFT-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.77
Rot. Bonds6

About 2-bromo-6-(dipropylamino)benzoic acid

2-bromo-6-(dipropylamino)benzoic acid (PubChem CID 114888032) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-6-(dipropylamino)benzoic acid.

Molecular Properties

Compound Name2-bromo-6-(dipropylamino)benzoic acid
PubChem CID114888032
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-6-(dipropylamino)benzoic acid
SMILESCCCN(CCC)c1cccc(Br)c1C(=O)O
InChIInChI=1S/C13H18BrNO2/c1-3-8-15(9-4-2)11-7-5-6-10(14)12(11)13(16)17/h5-7H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyCCTQLRQRWHGRFT-UHFFFAOYSA-N
XLogP3.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-carbamoyl-N-propylanilino)acetic acid
CID 114880081
2-bromo-6-[2,2-dimethylpropyl(methyl)amino]benzoic acid
CID 114888148
2-bromo-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 114883728
2-bromo-6-(N-ethyl-4-fluoroanilino)benzoic acid
CID 114888107
2-bromo-6-[methyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 114888085
2-bromo-6-[methyl(prop-2-ynyl)amino]benzoic acid
CID 114888381
2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide
CID 114884942
2-bromo-6-[cyclopropylmethyl(propyl)amino]benzenecarbothioamide
CID 114882090
2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619692
2-bromo-4-(dipropylamino)-3-fluorobenzoic acid
CID 107540106
1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine
CID 86051450
1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
CID 55010180

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(dipropylamino)benzoic acid?
The IUPAC name of 2-bromo-6-(dipropylamino)benzoic acid (CID 114888032) is 2-bromo-6-(dipropylamino)benzoic acid.
What is the SMILES notation for 2-bromo-6-(dipropylamino)benzoic acid?
The canonical SMILES for 2-bromo-6-(dipropylamino)benzoic acid is CCCN(CCC)c1cccc(Br)c1C(=O)O.
What is the InChIKey of 2-bromo-6-(dipropylamino)benzoic acid?
The InChIKey is CCTQLRQRWHGRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-8-15(9-4-2)11-7-5-6-10(14)12(11)13(16)17/h5-7H,3-4,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-6-(dipropylamino)benzoic acid?
2-bromo-6-(dipropylamino)benzoic acid has a molecular weight of 300.20 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(dipropylamino)benzoic acid is sourced from PubChem (CID 114888032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).