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

C16H26N2O2 — CID 62516224

IUPAC2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(CC(C)C)CN(C)C)c(C(=O)O)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)8-13(10-18(4)5)17-15-7-6-12(3)9-14(15)16(19)20/h6-7,9,11,13,17H,8,10H2,1-5H3,(H,19,20)
InChIKeyQLANVUTVHAMYRJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.08
Rot. Bonds7

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

2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid (PubChem CID 62516224) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid
PubChem CID62516224
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(CC(C)C)CN(C)C)c(C(=O)O)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)8-13(10-18(4)5)17-15-7-6-12(3)9-14(15)16(19)20/h6-7,9,11,13,17H,8,10H2,1-5H3,(H,19,20)
InChIKeyQLANVUTVHAMYRJ-UHFFFAOYSA-N
XLogP3.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid
CID 114895528
5-methyl-2-(propan-2-ylamino)benzoic acid
CID 13064660
5-methyl-2-(3-methylbutylamino)benzoic acid
CID 18802499
5-methyl-2-(2-methylpropylsulfonylamino)benzoic acid
CID 62999145
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-fluorobenzenecarbothioamide
CID 63675070
2-(but-3-yn-2-ylamino)-5-methylbenzoic acid
CID 114417638
5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
CID 61201776
1-[2-amino-4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]phenyl]ethanone
CID 104528581
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
5-methyl-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104762145
5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid
CID 61478628
5-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzoic acid
CID 63537680

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid (CID 62516224) is 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid is Cc1ccc(NC(CC(C)C)CN(C)C)c(C(=O)O)c1.
What is the InChIKey of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid?
The InChIKey is QLANVUTVHAMYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)8-13(10-18(4)5)17-15-7-6-12(3)9-14(15)16(19)20/h6-7,9,11,13,17H,8,10H2,1-5H3,(H,19,20).
What are the key properties of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid?
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid has a molecular weight of 278.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 62516224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).