N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine

C15H25NO — CID 62443917

IUPACN-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine
SMILESCNCc1cccc(COC(C)CC(C)C)c1
InChIInChI=1S/C15H25NO/c1-12(2)8-13(3)17-11-15-7-5-6-14(9-15)10-16-4/h5-7,9,12-13,16H,8,10-11H2,1-4H3
InChIKeyMROBPUXHFFOJJS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds7

About N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine

N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine (PubChem CID 62443917) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine
PubChem CID62443917
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine
SMILESCNCc1cccc(COC(C)CC(C)C)c1
InChIInChI=1S/C15H25NO/c1-12(2)8-13(3)17-11-15-7-5-6-14(9-15)10-16-4/h5-7,9,12-13,16H,8,10-11H2,1-4H3
InChIKeyMROBPUXHFFOJJS-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine (CID 62443917) is N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine is CNCc1cccc(COC(C)CC(C)C)c1.
What is the InChIKey of N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine?
The InChIKey is MROBPUXHFFOJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)8-13(3)17-11-15-7-5-6-14(9-15)10-16-4/h5-7,9,12-13,16H,8,10-11H2,1-4H3.
What are the key properties of N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine?
N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine has a molecular weight of 235.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 62443917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).