N,N-dimethyl-2-(2-methylphenyl)ethanimidamide

C11H16N2 — CID 63179558

IUPACN,N-dimethyl-2-(2-methylphenyl)ethanimidamide
SMILES[H]/N=C(/Cc1ccccc1C)N(C)C
InChIInChI=1S/C11H16N2/c1-9-6-4-5-7-10(9)8-11(12)13(2)3/h4-7,12H,8H2,1-3H3/b12-11-
InChIKeyNHIUIWWBPLLALX-QXMHVHEDSA-N
MW176.26 g/mol
LogP2.08
Rot. Bonds2

About N,N-dimethyl-2-(2-methylphenyl)ethanimidamide

N,N-dimethyl-2-(2-methylphenyl)ethanimidamide (PubChem CID 63179558) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylphenyl)ethanimidamide
PubChem CID63179558
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN,N-dimethyl-2-(2-methylphenyl)ethanimidamide
SMILES[H]/N=C(/Cc1ccccc1C)N(C)C
InChIInChI=1S/C11H16N2/c1-9-6-4-5-7-10(9)8-11(12)13(2)3/h4-7,12H,8H2,1-3H3/b12-11-
InChIKeyNHIUIWWBPLLALX-QXMHVHEDSA-N
XLogP2.08
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide
CID 11500256
2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide
CID 63179561
1,1-bis[(2-methylphenyl)methyl]guanidine
CID 18981492
methyl 2-imino-3-(2-methylphenyl)propanoate
CID 142044650
2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide
CID 66153924
2-(2-methylphenyl)acetic acid
CID 67440217
(2-methylphenyl)methyl methylsulfonylmethanimidothioate
CID 142054914
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene
CID 71365855
N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide
CID 19099766
4-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 54485744

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylphenyl)ethanimidamide?
The IUPAC name of N,N-dimethyl-2-(2-methylphenyl)ethanimidamide (CID 63179558) is N,N-dimethyl-2-(2-methylphenyl)ethanimidamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methylphenyl)ethanimidamide?
The canonical SMILES for N,N-dimethyl-2-(2-methylphenyl)ethanimidamide is [H]/N=C(/Cc1ccccc1C)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methylphenyl)ethanimidamide?
The InChIKey is NHIUIWWBPLLALX-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-6-4-5-7-10(9)8-11(12)13(2)3/h4-7,12H,8H2,1-3H3/b12-11-.
What are the key properties of N,N-dimethyl-2-(2-methylphenyl)ethanimidamide?
N,N-dimethyl-2-(2-methylphenyl)ethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylphenyl)ethanimidamide is sourced from PubChem (CID 63179558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).