N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine

C17H28N2O — CID 105347759

IUPACN-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
SMILESCNCCc1ccc(CN(C)CC2CCOCC2)cc1
InChIInChI=1S/C17H28N2O/c1-18-10-7-15-3-5-16(6-4-15)13-19(2)14-17-8-11-20-12-9-17/h3-6,17-18H,7-14H2,1-2H3
InChIKeyNSVVNPVXBMSVTE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.31
Rot. Bonds7

About N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine

N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine (PubChem CID 105347759) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
PubChem CID105347759
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
SMILESCNCCc1ccc(CN(C)CC2CCOCC2)cc1
InChIInChI=1S/C17H28N2O/c1-18-10-7-15-3-5-16(6-4-15)13-19(2)14-17-8-11-20-12-9-17/h3-6,17-18H,7-14H2,1-2H3
InChIKeyNSVVNPVXBMSVTE-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine 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-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611
N-[2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347152
2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
CID 105347717
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine
CID 55226838
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63706317
2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]propanoic acid
CID 105346036
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 107694066
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 77083300
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115464114
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine?
The IUPAC name of N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine (CID 105347759) is N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine is CNCCc1ccc(CN(C)CC2CCOCC2)cc1.
What is the InChIKey of N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine?
The InChIKey is NSVVNPVXBMSVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-18-10-7-15-3-5-16(6-4-15)13-19(2)14-17-8-11-20-12-9-17/h3-6,17-18H,7-14H2,1-2H3.
What are the key properties of N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine?
N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine is sourced from PubChem (CID 105347759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).