3-methylaniline;N-methyl-N-phenylformamide

C15H18N2O — CID 174963220

IUPAC3-methylaniline;N-methyl-N-phenylformamide
SMILESCN(C=O)c1ccccc1.Cc1cccc(N)c1
InChIInChI=1S/C8H9NO.C7H9N/c1-9(7-10)8-5-3-2-4-6-8;1-6-3-2-4-7(8)5-6/h2-7H,1H3;2-5H,8H2,1H3
InChIKeyNOAXEVAJPRBPKU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.86
Rot. Bonds2

About 3-methylaniline;N-methyl-N-phenylformamide

3-methylaniline;N-methyl-N-phenylformamide (PubChem CID 174963220) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methylaniline;N-methyl-N-phenylformamide.

Molecular Properties

Compound Name3-methylaniline;N-methyl-N-phenylformamide
PubChem CID174963220
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-methylaniline;N-methyl-N-phenylformamide
SMILESCN(C=O)c1ccccc1.Cc1cccc(N)c1
InChIInChI=1S/C8H9NO.C7H9N/c1-9(7-10)8-5-3-2-4-6-8;1-6-3-2-4-7(8)5-6/h2-7H,1H3;2-5H,8H2,1H3
InChIKeyNOAXEVAJPRBPKU-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aniline;3-methylaniline
CID 70490422
3-methylaniline
CID 7934
N-[3-[formyl(methyl)amino]phenyl]-N-methylformamide
CID 134105298
N,N-dimethylformamide;1,3-xylene
CID 175545564
3-methylaniline chloride
CID 23334103
N-(4-aminophenyl)-N-methylformamide
CID 19983561
acetic acid;ethane;3-methylaniline
CID 142238928
3-methylaniline;styrene
CID 174647241
ethane;ethene;3-methylaniline
CID 145478894
3-methylaniline;sulfurous acid
CID 70507221
N-(3,5-dimethylphenyl)-N-phenylformamide
CID 87250258
bis(3-methylaniline);sulfuric acid;dihydrate
CID 172789732

Frequently Asked Questions

What is the IUPAC name of 3-methylaniline;N-methyl-N-phenylformamide?
The IUPAC name of 3-methylaniline;N-methyl-N-phenylformamide (CID 174963220) is 3-methylaniline;N-methyl-N-phenylformamide.
What is the SMILES notation for 3-methylaniline;N-methyl-N-phenylformamide?
The canonical SMILES for 3-methylaniline;N-methyl-N-phenylformamide is CN(C=O)c1ccccc1.Cc1cccc(N)c1.
What is the InChIKey of 3-methylaniline;N-methyl-N-phenylformamide?
The InChIKey is NOAXEVAJPRBPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C7H9N/c1-9(7-10)8-5-3-2-4-6-8;1-6-3-2-4-7(8)5-6/h2-7H,1H3;2-5H,8H2,1H3.
What are the key properties of 3-methylaniline;N-methyl-N-phenylformamide?
3-methylaniline;N-methyl-N-phenylformamide has a molecular weight of 242.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylaniline;N-methyl-N-phenylformamide is sourced from PubChem (CID 174963220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).