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

C16H19NO2 — CID 175448541

IUPACN-benzyl-2,3-dimethylaniline;formic acid
SMILESCc1cccc(NCc2ccccc2)c1C.O=CO
InChIInChI=1S/C15H17N.CH2O2/c1-12-7-6-10-15(13(12)2)16-11-14-8-4-3-5-9-14;2-1-3/h3-10,16H,11H2,1-2H3;1H,(H,2,3)
InChIKeyNDWONKQWRKQICC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.62
Rot. Bonds3

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

N-benzyl-2,3-dimethylaniline;formic acid (PubChem CID 175448541) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-benzyl-2,3-dimethylaniline;formic acid.

Molecular Properties

Compound NameN-benzyl-2,3-dimethylaniline;formic acid
PubChem CID175448541
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-benzyl-2,3-dimethylaniline;formic acid
SMILESCc1cccc(NCc2ccccc2)c1C.O=CO
InChIInChI=1S/C15H17N.CH2O2/c1-12-7-6-10-15(13(12)2)16-11-14-8-4-3-5-9-14;2-1-3/h3-10,16H,11H2,1-2H3;1H,(H,2,3)
InChIKeyNDWONKQWRKQICC-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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
[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
CID 112630874
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
1-benzyl-3-(2,3-dimethylphenyl)thiourea
CID 799294
N-benzyl-2-methylaniline;propanoic acid
CID 175171674
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
2,3-dimethyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437518
2-[3-(benzylamino)-2-methylphenyl]propanoic acid
CID 19764564
1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine
CID 174482697

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dimethylaniline;formic acid?
The IUPAC name of N-benzyl-2,3-dimethylaniline;formic acid (CID 175448541) is N-benzyl-2,3-dimethylaniline;formic acid.
What is the SMILES notation for N-benzyl-2,3-dimethylaniline;formic acid?
The canonical SMILES for N-benzyl-2,3-dimethylaniline;formic acid is Cc1cccc(NCc2ccccc2)c1C.O=CO.
What is the InChIKey of N-benzyl-2,3-dimethylaniline;formic acid?
The InChIKey is NDWONKQWRKQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.CH2O2/c1-12-7-6-10-15(13(12)2)16-11-14-8-4-3-5-9-14;2-1-3/h3-10,16H,11H2,1-2H3;1H,(H,2,3).
What are the key properties of N-benzyl-2,3-dimethylaniline;formic acid?
N-benzyl-2,3-dimethylaniline;formic acid has a molecular weight of 257.33 g/mol, XLogP of 3.62, 3 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;formic acid is sourced from PubChem (CID 175448541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).