N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine

C16H26N2O — CID 55227611

IUPACN-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
SMILESCNCc1cccc(CN(C)CC2CCOCC2)c1
InChIInChI=1S/C16H26N2O/c1-17-11-15-4-3-5-16(10-15)13-18(2)12-14-6-8-19-9-7-14/h3-5,10,14,17H,6-9,11-13H2,1-2H3
InChIKeyDPGDZSPZYSKVGQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.26
Rot. Bonds6

About N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine

N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine (PubChem CID 55227611) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
PubChem CID55227611
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
SMILESCNCc1cccc(CN(C)CC2CCOCC2)c1
InChIInChI=1S/C16H26N2O/c1-17-11-15-4-3-5-16(10-15)13-18(2)12-14-6-8-19-9-7-14/h3-5,10,14,17H,6-9,11-13H2,1-2H3
InChIKeyDPGDZSPZYSKVGQ-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine (CID 55227611) is N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine is CNCc1cccc(CN(C)CC2CCOCC2)c1.
What is the InChIKey of N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is DPGDZSPZYSKVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-11-15-4-3-5-16(10-15)13-18(2)12-14-6-8-19-9-7-14/h3-5,10,14,17H,6-9,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine?
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 55227611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).