ethane;N-[3-methyl-2-(methylamino)phenyl]formamide

C11H18N2O — CID 142602609

IUPACethane;N-[3-methyl-2-(methylamino)phenyl]formamide
SMILESCC.CNc1c(C)cccc1NC=O
InChIInChI=1S/C9H12N2O.C2H6/c1-7-4-3-5-8(11-6-12)9(7)10-2;1-2/h3-6,10H,1-2H3,(H,11,12);1-2H3
InChIKeyREBHAABJZPBEPY-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.63
Rot. Bonds3

About ethane;N-[3-methyl-2-(methylamino)phenyl]formamide

ethane;N-[3-methyl-2-(methylamino)phenyl]formamide (PubChem CID 142602609) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;N-[3-methyl-2-(methylamino)phenyl]formamide.

Molecular Properties

Compound Nameethane;N-[3-methyl-2-(methylamino)phenyl]formamide
PubChem CID142602609
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;N-[3-methyl-2-(methylamino)phenyl]formamide
SMILESCC.CNc1c(C)cccc1NC=O
InChIInChI=1S/C9H12N2O.C2H6/c1-7-4-3-5-8(11-6-12)9(7)10-2;1-2/h3-6,10H,1-2H3,(H,11,12);1-2H3
InChIKeyREBHAABJZPBEPY-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.63
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-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602610
N-(2,3-dimethylphenyl)formamide;methane
CID 143644303
acetaldehyde;N,2-dimethylaniline;ethane
CID 143317223
2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline
CID 145241841
2-[3-methyl-2-(methylamino)anilino]ethene-1,1,2-tricarbonitrile
CID 168607866
2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide
CID 143818637
ethane;propanal;N,2,3-trimethylaniline
CID 154675662
N-(3-fluoro-2-methylphenyl)formamide
CID 45090567
N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide
CID 168652528
ethane;2-fluoro-N,3-dimethylaniline;N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethyl)phenyl]formamide
CID 143933694
2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane
CID 142207467
N-(2-methyl-3-sulfamoylphenyl)formamide
CID 64992566

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-methyl-2-(methylamino)phenyl]formamide?
The IUPAC name of ethane;N-[3-methyl-2-(methylamino)phenyl]formamide (CID 142602609) is ethane;N-[3-methyl-2-(methylamino)phenyl]formamide.
What is the SMILES notation for ethane;N-[3-methyl-2-(methylamino)phenyl]formamide?
The canonical SMILES for ethane;N-[3-methyl-2-(methylamino)phenyl]formamide is CC.CNc1c(C)cccc1NC=O.
What is the InChIKey of ethane;N-[3-methyl-2-(methylamino)phenyl]formamide?
The InChIKey is REBHAABJZPBEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-7-4-3-5-8(11-6-12)9(7)10-2;1-2/h3-6,10H,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-[3-methyl-2-(methylamino)phenyl]formamide?
ethane;N-[3-methyl-2-(methylamino)phenyl]formamide has a molecular weight of 194.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-methyl-2-(methylamino)phenyl]formamide is sourced from PubChem (CID 142602609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).