N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine

C15H26N2 — CID 55074902

IUPACN-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine
SMILESCCC(CC)N(C)Cc1ccccc1CNC
InChIInChI=1S/C15H26N2/c1-5-15(6-2)17(4)12-14-10-8-7-9-13(14)11-16-3/h7-10,15-16H,5-6,11-12H2,1-4H3
InChIKeyVURSMCFUGIGXPT-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.03
Rot. Bonds7

About N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine

N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine (PubChem CID 55074902) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine
PubChem CID55074902
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine
SMILESCCC(CC)N(C)Cc1ccccc1CNC
InChIInChI=1S/C15H26N2/c1-5-15(6-2)17(4)12-14-10-8-7-9-13(14)11-16-3/h7-10,15-16H,5-6,11-12H2,1-4H3
InChIKeyVURSMCFUGIGXPT-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62433557
N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine
CID 115463724
2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 62435018
1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 62424027
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine
CID 107555940
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 55072302
N-[[2-(2-aminoethyl)phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661017
2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine
CID 62435019
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 81067280

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine?
The IUPAC name of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine (CID 55074902) is N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine.
What is the SMILES notation for N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine?
The canonical SMILES for N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine is CCC(CC)N(C)Cc1ccccc1CNC.
What is the InChIKey of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine?
The InChIKey is VURSMCFUGIGXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-15(6-2)17(4)12-14-10-8-7-9-13(14)11-16-3/h7-10,15-16H,5-6,11-12H2,1-4H3.
What are the key properties of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine?
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine has a molecular weight of 234.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine is sourced from PubChem (CID 55074902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).