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

C16H26N2O — CID 63706482

IUPACN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
SMILESCNCc1ccc(CN(C)CC2CCCOC2)cc1
InChIInChI=1S/C16H26N2O/c1-17-10-14-5-7-15(8-6-14)11-18(2)12-16-4-3-9-19-13-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyQUKBELFHMISJGO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.26
Rot. Bonds6

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

N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine (PubChem CID 63706482) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
PubChem CID63706482
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
SMILESCNCc1ccc(CN(C)CC2CCCOC2)cc1
InChIInChI=1S/C16H26N2O/c1-17-10-14-5-7-15(8-6-14)11-18(2)12-16-4-3-9-19-13-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyQUKBELFHMISJGO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63705715
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-1-(oxan-3-yl)methanamine
CID 55225871
N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 63705707
5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 63711460
N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556893
N-methyl-3-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 63711795
4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 63713648
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 102771142
N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347759
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599
N-[[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63657541

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine (CID 63706482) is N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine is CNCc1ccc(CN(C)CC2CCCOC2)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is QUKBELFHMISJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-10-14-5-7-15(8-6-14)11-18(2)12-16-4-3-9-19-13-16/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine?
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-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-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 63706482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).