N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide

C12H18N2O — CID 167190465

IUPACN-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide
SMILESCNc1c(C(C)C)cccc1N(C)C=O
InChIInChI=1S/C12H18N2O/c1-9(2)10-6-5-7-11(12(10)13-3)14(4)8-15/h5-9,13H,1-4H3
InChIKeyGMCDOZXOWNPQTF-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.44
Rot. Bonds4

About N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide

N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide (PubChem CID 167190465) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide
PubChem CID167190465
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide
SMILESCNc1c(C(C)C)cccc1N(C)C=O
InChIInChI=1S/C12H18N2O/c1-9(2)10-6-5-7-11(12(10)13-3)14(4)8-15/h5-9,13H,1-4H3
InChIKeyGMCDOZXOWNPQTF-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethenyl-2-N-methyl-1-N,3-di(propan-2-yl)benzene-1,2-diamine
CID 167190707
2-ethyl-N-methyl-6-propan-2-ylaniline
CID 131620902
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine
CID 18441404
N-[2-(dimethylamino)phenyl]-N-methylformamide
CID 142965400
(Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine
CID 90429610
2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
CID 130282228
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
2-[2-(dimethylamino)phenyl]-2-(methylamino)acetaldehyde
CID 166857709
2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline
CID 166146948
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide?
The IUPAC name of N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide (CID 167190465) is N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide is CNc1c(C(C)C)cccc1N(C)C=O.
What is the InChIKey of N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide?
The InChIKey is GMCDOZXOWNPQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)10-6-5-7-11(12(10)13-3)14(4)8-15/h5-9,13H,1-4H3.
What are the key properties of N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide?
N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide has a molecular weight of 206.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide is sourced from PubChem (CID 167190465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).