N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine

C13H21N — CID 16772752

IUPACN-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H21N/c1-10(2)9-12-5-7-13(8-6-12)11(3)14-4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyRPPIZVWRNHDAHT-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.17
Rot. Bonds4

About N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine

N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 16772752) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID16772752
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H21N/c1-10(2)9-12-5-7-13(8-6-12)11(3)14-4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyRPPIZVWRNHDAHT-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 16772752) is N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine is CNC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is RPPIZVWRNHDAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)9-12-5-7-13(8-6-12)11(3)14-4/h5-8,10-11,14H,9H2,1-4H3.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine?
N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 16772752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).