ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine

C13H24N2 — CID 145117697

IUPACethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
SMILESCC.CNCCc1ccc(CNC)cc1
InChIInChI=1S/C11H18N2.C2H6/c1-12-8-7-10-3-5-11(6-4-10)9-13-2;1-2/h3-6,12-13H,7-9H2,1-2H3;1-2H3
InChIKeyFFTVNHNHHAGIOH-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.19
Rot. Bonds5

About ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine

ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine (PubChem CID 145117697) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
PubChem CID145117697
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
SMILESCC.CNCCc1ccc(CNC)cc1
InChIInChI=1S/C11H18N2.C2H6/c1-12-8-7-10-3-5-11(6-4-10)9-13-2;1-2/h3-6,12-13H,7-9H2,1-2H3;1-2H3
InChIKeyFFTVNHNHHAGIOH-UHFFFAOYSA-N
XLogP2.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;N-methyl-2-[4-(methylaminomethyl)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

ethane;N-methyl-1-(4-propylphenyl)methanamine
CID 176699852
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine
CID 168903163
4-[2-(methylamino)ethyl]benzonitrile;hydrochloride
CID 134690729
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine
CID 153355251
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
lithium;hydride;N-methyl-2-phenylethanamine
CID 174675590
ethane;N-methyl-1-(4-methylphenyl)methanamine;propane
CID 168988049

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine?
The IUPAC name of ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine (CID 145117697) is ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine.
What is the SMILES notation for ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine?
The canonical SMILES for ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine is CC.CNCCc1ccc(CNC)cc1.
What is the InChIKey of ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine?
The InChIKey is FFTVNHNHHAGIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-12-8-7-10-3-5-11(6-4-10)9-13-2;1-2/h3-6,12-13H,7-9H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine?
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine has a molecular weight of 208.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine is sourced from PubChem (CID 145117697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).