N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine

C10H16N2 — CID 14801555

IUPACN-methyl-1-[4-(methylaminomethyl)phenyl]methanamine
SMILESCNCc1ccc(CNC)cc1
InChIInChI=1S/C10H16N2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-6,11-12H,7-8H2,1-2H3
InChIKeyJVGKCYRIXCBMPD-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.13
Rot. Bonds4

About N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine

N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine (PubChem CID 14801555) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(methylaminomethyl)phenyl]methanamine
PubChem CID14801555
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-methyl-1-[4-(methylaminomethyl)phenyl]methanamine
SMILESCNCc1ccc(CNC)cc1
InChIInChI=1S/C10H16N2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-6,11-12H,7-8H2,1-2H3
InChIKeyJVGKCYRIXCBMPD-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine (CID 14801555) is N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine is CNCc1ccc(CNC)cc1.
What is the InChIKey of N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine?
The InChIKey is JVGKCYRIXCBMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-6,11-12H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine?
N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine has a molecular weight of 164.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine is sourced from PubChem (CID 14801555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).