N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine

C14H24N2S — CID 112665581

IUPACN-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCCNCc1cccc(CN(C)CCSC)c1
InChIInChI=1S/C14H24N2S/c1-4-15-11-13-6-5-7-14(10-13)12-16(2)8-9-17-3/h5-7,10,15H,4,8-9,11-12H2,1-3H3
InChIKeyBMUZNFNOKFYQJY-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.59
Rot. Bonds8

About N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine

N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine (PubChem CID 112665581) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
PubChem CID112665581
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCCNCc1cccc(CN(C)CCSC)c1
InChIInChI=1S/C14H24N2S/c1-4-15-11-13-6-5-7-14(10-13)12-16(2)8-9-17-3/h5-7,10,15H,4,8-9,11-12H2,1-3H3
InChIKeyBMUZNFNOKFYQJY-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-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665620
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62421924
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
1-[3-(ethylaminomethyl)phenyl]-N-(3-methylsulfanylpropyl)methanesulfonamide
CID 106066257
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
1-[3-(ethylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 106063587
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 66349608
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine (CID 112665581) is N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine is CCNCc1cccc(CN(C)CCSC)c1.
What is the InChIKey of N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
The InChIKey is BMUZNFNOKFYQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-15-11-13-6-5-7-14(10-13)12-16(2)8-9-17-3/h5-7,10,15H,4,8-9,11-12H2,1-3H3.
What are the key properties of N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine?
N-[[3-(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-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 112665581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).