N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine

C13H21N — CID 82281488

IUPACN-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine
SMILESCNC(C)(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C13H21N/c1-9-7-11(3)12(8-10(9)2)13(4,5)14-6/h7-8,14H,1-6H3
InChIKeyQFWHQFHKHNBLIQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.07
Rot. Bonds2

About N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine

N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine (PubChem CID 82281488) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine
PubChem CID82281488
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine
SMILESCNC(C)(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C13H21N/c1-9-7-11(3)12(8-10(9)2)13(4,5)14-6/h7-8,14H,1-6H3
InChIKeyQFWHQFHKHNBLIQ-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine?
The IUPAC name of N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine (CID 82281488) is N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine?
The canonical SMILES for N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine is CNC(C)(C)c1cc(C)c(C)cc1C.
What is the InChIKey of N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine?
The InChIKey is QFWHQFHKHNBLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9-7-11(3)12(8-10(9)2)13(4,5)14-6/h7-8,14H,1-6H3.
What are the key properties of N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine?
N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,4,5-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 82281488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).