N,3,4-trimethyl-N-propan-2-ylaniline

C12H19N — CID 117043839

IUPACN,3,4-trimethyl-N-propan-2-ylaniline
SMILESCc1ccc(N(C)C(C)C)cc1C
InChIInChI=1S/C12H19N/c1-9(2)13(5)12-7-6-10(3)11(4)8-12/h6-9H,1-5H3
InChIKeyRVMJIDZAOWJWSY-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.15
Rot. Bonds2

About N,3,4-trimethyl-N-propan-2-ylaniline

N,3,4-trimethyl-N-propan-2-ylaniline (PubChem CID 117043839) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,3,4-trimethyl-N-propan-2-ylaniline.

Molecular Properties

Compound NameN,3,4-trimethyl-N-propan-2-ylaniline
PubChem CID117043839
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,3,4-trimethyl-N-propan-2-ylaniline
SMILESCc1ccc(N(C)C(C)C)cc1C
InChIInChI=1S/C12H19N/c1-9(2)13(5)12-7-6-10(3)11(4)8-12/h6-9H,1-5H3
InChIKeyRVMJIDZAOWJWSY-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N,3,4-trimethyl-N-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[methyl(propan-2-yl)amino]phenol
CID 142192144
2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55263892
N,N,3,4-tetramethylaniline
CID 12595466
N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203033
N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693045
4-[methyl(propan-2-yl)amino]benzene-1,2-dicarbonitrile
CID 11528530
2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 5227443
N-(bromomethyl)-N,3,4-trimethylaniline
CID 115261662
N-(3,4-dimethylphenyl)-N-methylnitrous amide
CID 122378533
N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
1-(3-chloro-N,4-dimethylanilino)ethanol
CID 70441913
2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine
CID 82021074

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-propan-2-ylaniline?
The IUPAC name of N,3,4-trimethyl-N-propan-2-ylaniline (CID 117043839) is N,3,4-trimethyl-N-propan-2-ylaniline.
What is the SMILES notation for N,3,4-trimethyl-N-propan-2-ylaniline?
The canonical SMILES for N,3,4-trimethyl-N-propan-2-ylaniline is Cc1ccc(N(C)C(C)C)cc1C.
What is the InChIKey of N,3,4-trimethyl-N-propan-2-ylaniline?
The InChIKey is RVMJIDZAOWJWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)13(5)12-7-6-10(3)11(4)8-12/h6-9H,1-5H3.
What are the key properties of N,3,4-trimethyl-N-propan-2-ylaniline?
N,3,4-trimethyl-N-propan-2-ylaniline has a molecular weight of 177.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-propan-2-ylaniline is sourced from PubChem (CID 117043839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).