N-(2,3,4-trimethylphenyl)propan-2-imine

C12H17N — CID 20769409

IUPACN-(2,3,4-trimethylphenyl)propan-2-imine
SMILESCC(C)=Nc1ccc(C)c(C)c1C
InChIInChI=1S/C12H17N/c1-8(2)13-12-7-6-9(3)10(4)11(12)5/h6-7H,1-5H3
InChIKeyKAVPXQADWILDIW-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.72
Rot. Bonds1

About N-(2,3,4-trimethylphenyl)propan-2-imine

N-(2,3,4-trimethylphenyl)propan-2-imine (PubChem CID 20769409) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-(2,3,4-trimethylphenyl)propan-2-imine.

Molecular Properties

Compound NameN-(2,3,4-trimethylphenyl)propan-2-imine
PubChem CID20769409
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-(2,3,4-trimethylphenyl)propan-2-imine
SMILESCC(C)=Nc1ccc(C)c(C)c1C
InChIInChI=1S/C12H17N/c1-8(2)13-12-7-6-9(3)10(4)11(12)5/h6-7H,1-5H3
InChIKeyKAVPXQADWILDIW-UHFFFAOYSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-Trimethylaniline
CID 8717
2,3,3-Trimethylbenzoindolenine
CID 170530
3H-Indole, 2,3,3-trimethyl-
CID 15427
Benzenamine, 2,4,5-trimethyl-, hydrochloride (1:1)
CID 5284470
Benzenediamine, ar,ar-diethyl-ar-methyl-
CID 18695160
2,3-Dimethylphenylisothiocyanate
CID 137068
3H-Indole, 2,3,3,5-tetramethyl-
CID 117693
3,4,5-Trimethylaniline
CID 74227
m-Toluidine, 2,6-diethyl-
CID 144235
2,3-Dimethylphenyl isocyanate
CID 137096
1-Isothiocyanato-2,4-dimethylbenzene
CID 142386
1-Isocyanato-2,4-dimethylbenzene
CID 5207585

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trimethylphenyl)propan-2-imine?
The IUPAC name of N-(2,3,4-trimethylphenyl)propan-2-imine (CID 20769409) is N-(2,3,4-trimethylphenyl)propan-2-imine.
What is the SMILES notation for N-(2,3,4-trimethylphenyl)propan-2-imine?
The canonical SMILES for N-(2,3,4-trimethylphenyl)propan-2-imine is CC(C)=Nc1ccc(C)c(C)c1C.
What is the InChIKey of N-(2,3,4-trimethylphenyl)propan-2-imine?
The InChIKey is KAVPXQADWILDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8(2)13-12-7-6-9(3)10(4)11(12)5/h6-7H,1-5H3.
What are the key properties of N-(2,3,4-trimethylphenyl)propan-2-imine?
N-(2,3,4-trimethylphenyl)propan-2-imine has a molecular weight of 175.27 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trimethylphenyl)propan-2-imine is sourced from PubChem (CID 20769409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).