N-benzyl-2-methylaniline;propanoic acid

C17H21NO2 — CID 175171674

IUPACN-benzyl-2-methylaniline;propanoic acid
SMILESCCC(=O)O.Cc1ccccc1NCc1ccccc1
InChIInChI=1S/C14H15N.C3H6O2/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13;1-2-3(4)5/h2-10,15H,11H2,1H3;2H2,1H3,(H,4,5)
InChIKeySREIXMAOWABAEH-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.09
Rot. Bonds4

About N-benzyl-2-methylaniline;propanoic acid

N-benzyl-2-methylaniline;propanoic acid (PubChem CID 175171674) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-benzyl-2-methylaniline;propanoic acid.

Molecular Properties

Compound NameN-benzyl-2-methylaniline;propanoic acid
PubChem CID175171674
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-benzyl-2-methylaniline;propanoic acid
SMILESCCC(=O)O.Cc1ccccc1NCc1ccccc1
InChIInChI=1S/C14H15N.C3H6O2/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13;1-2-3(4)5/h2-10,15H,11H2,1H3;2H2,1H3,(H,4,5)
InChIKeySREIXMAOWABAEH-UHFFFAOYSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,3-dimethylaniline;propanoic acid
CID 175448532
benzoic acid;N-benzyl-2,3-dimethylaniline
CID 175448548
N-benzyl-2,3-dimethylaniline;terephthalic acid
CID 175448533
1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine
CID 174482697
N-benzyl-2,3-dimethylaniline;formic acid
CID 175448541
ethyl 3-(benzylamino)-2-methylbenzoate
CID 5127212
2-[(2-methylanilino)methyl]phenol
CID 3240149
ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate
CID 70676553
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822
2-[3-(benzylamino)-2-methylphenyl]propanoic acid
CID 19764564
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylaniline;propanoic acid?
The IUPAC name of N-benzyl-2-methylaniline;propanoic acid (CID 175171674) is N-benzyl-2-methylaniline;propanoic acid.
What is the SMILES notation for N-benzyl-2-methylaniline;propanoic acid?
The canonical SMILES for N-benzyl-2-methylaniline;propanoic acid is CCC(=O)O.Cc1ccccc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylaniline;propanoic acid?
The InChIKey is SREIXMAOWABAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C3H6O2/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13;1-2-3(4)5/h2-10,15H,11H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of N-benzyl-2-methylaniline;propanoic acid?
N-benzyl-2-methylaniline;propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylaniline;propanoic acid is sourced from PubChem (CID 175171674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).