N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine

C13H22N2 — CID 62417230

IUPACN-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN(C)CC
InChIInChI=1S/C13H22N2/c1-4-14-10-12-8-6-7-9-13(12)11-15(3)5-2/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyTTZMJRBXVITHRS-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.25
Rot. Bonds6

About N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine

N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine (PubChem CID 62417230) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
PubChem CID62417230
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN(C)CC
InChIInChI=1S/C13H22N2/c1-4-14-10-12-8-6-7-9-13(12)11-15(3)5-2/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyTTZMJRBXVITHRS-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665620
N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432557
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62413781
ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine
CID 143246363
N'-[[2-(ethylaminomethyl)phenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436903
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
2-(ethylaminomethyl)phenol
CID 12995218
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 55074886

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine (CID 62417230) is N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1CN(C)CC.
What is the InChIKey of N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine?
The InChIKey is TTZMJRBXVITHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-14-10-12-8-6-7-9-13(12)11-15(3)5-2/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine?
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine has a molecular weight of 206.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62417230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).