N-benzyl-2,3-dimethylaniline;propanoic acid

C18H23NO2 — CID 175448532

IUPACN-benzyl-2,3-dimethylaniline;propanoic acid
SMILESCCC(=O)O.Cc1cccc(NCc2ccccc2)c1C
InChIInChI=1S/C15H17N.C3H6O2/c1-12-7-6-10-15(13(12)2)16-11-14-8-4-3-5-9-14;1-2-3(4)5/h3-10,16H,11H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyXKABKSWHNAARIU-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.40
Rot. Bonds4

About N-benzyl-2,3-dimethylaniline;propanoic acid

N-benzyl-2,3-dimethylaniline;propanoic acid (PubChem CID 175448532) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-2,3-dimethylaniline;propanoic acid.

Molecular Properties

Compound NameN-benzyl-2,3-dimethylaniline;propanoic acid
PubChem CID175448532
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-benzyl-2,3-dimethylaniline;propanoic acid
SMILESCCC(=O)O.Cc1cccc(NCc2ccccc2)c1C
InChIInChI=1S/C15H17N.C3H6O2/c1-12-7-6-10-15(13(12)2)16-11-14-8-4-3-5-9-14;1-2-3(4)5/h3-10,16H,11H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyXKABKSWHNAARIU-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-methylaniline;propanoic acid
CID 175171674
benzoic acid;N-benzyl-2,3-dimethylaniline
CID 175448548
N-benzyl-2,3-dimethylaniline;terephthalic acid
CID 175448533
N-benzyl-2,3-dimethylaniline;formic acid
CID 175448541
[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
CID 112630874
ethyl 3-(benzylamino)-2-methylbenzoate
CID 5127212
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
2-[3-(benzylamino)-2-methylphenyl]propanoic acid
CID 19764564
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine
CID 174482697
1-benzyl-3-(2,3-dimethylphenyl)thiourea
CID 799294
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dimethylaniline;propanoic acid?
The IUPAC name of N-benzyl-2,3-dimethylaniline;propanoic acid (CID 175448532) is N-benzyl-2,3-dimethylaniline;propanoic acid.
What is the SMILES notation for N-benzyl-2,3-dimethylaniline;propanoic acid?
The canonical SMILES for N-benzyl-2,3-dimethylaniline;propanoic acid is CCC(=O)O.Cc1cccc(NCc2ccccc2)c1C.
What is the InChIKey of N-benzyl-2,3-dimethylaniline;propanoic acid?
The InChIKey is XKABKSWHNAARIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C3H6O2/c1-12-7-6-10-15(13(12)2)16-11-14-8-4-3-5-9-14;1-2-3(4)5/h3-10,16H,11H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of N-benzyl-2,3-dimethylaniline;propanoic acid?
N-benzyl-2,3-dimethylaniline;propanoic acid has a molecular weight of 285.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dimethylaniline;propanoic acid is sourced from PubChem (CID 175448532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).