N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine

C14H24N2S — CID 112665620

IUPACN-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCCNCc1ccccc1CN(C)CCSC
InChIInChI=1S/C14H24N2S/c1-4-15-11-13-7-5-6-8-14(13)12-16(2)9-10-17-3/h5-8,15H,4,9-12H2,1-3H3
InChIKeyKRSUJPPBTFHVTG-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.59
Rot. Bonds8

About N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine

N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine (PubChem CID 112665620) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
PubChem CID112665620
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCCNCc1ccccc1CN(C)CCSC
InChIInChI=1S/C14H24N2S/c1-4-15-11-13-7-5-6-8-14(13)12-16(2)9-10-17-3/h5-8,15H,4,9-12H2,1-3H3
InChIKeyKRSUJPPBTFHVTG-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 112665489
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665581
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 115987741
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432557
N'-[[2-(ethylaminomethyl)phenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436903
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 107113587
2-(ethylaminomethyl)phenol
CID 12995218
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62413781
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine (CID 112665620) is N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine is CCNCc1ccccc1CN(C)CCSC.
What is the InChIKey of N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
The InChIKey is KRSUJPPBTFHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-15-11-13-7-5-6-8-14(13)12-16(2)9-10-17-3/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine has a molecular weight of 252.43 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 112665620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).