2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine

C19H27N — CID 154499944

IUPAC2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1=CC(c2ccccc2CNC(C)(C)C)C(C)=C1C
InChIInChI=1S/C19H27N/c1-13-11-18(15(3)14(13)2)17-10-8-7-9-16(17)12-20-19(4,5)6/h7-11,18,20H,12H2,1-6H3
InChIKeyIEFDXLMHMSZOGK-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.95
Rot. Bonds3

About 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine

2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 154499944) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine
PubChem CID154499944
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1=CC(c2ccccc2CNC(C)(C)C)C(C)=C1C
InChIInChI=1S/C19H27N/c1-13-11-18(15(3)14(13)2)17-10-8-7-9-16(17)12-20-19(4,5)6/h7-11,18,20H,12H2,1-6H3
InChIKeyIEFDXLMHMSZOGK-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine (CID 154499944) is 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine is CC1=CC(c2ccccc2CNC(C)(C)C)C(C)=C1C.
What is the InChIKey of 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is IEFDXLMHMSZOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-13-11-18(15(3)14(13)2)17-10-8-7-9-16(17)12-20-19(4,5)6/h7-11,18,20H,12H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 154499944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).