2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine

C13H22N2S — CID 66349608

IUPAC2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
SMILESCCNCc1cccc(SCCN(C)C)c1
InChIInChI=1S/C13H22N2S/c1-4-14-11-12-6-5-7-13(10-12)16-9-8-15(2)3/h5-7,10,14H,4,8-9,11H2,1-3H3
InChIKeyIZRQHLVLXJIBGV-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.45
Rot. Bonds7

About 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine

2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine (PubChem CID 66349608) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
PubChem CID66349608
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
SMILESCCNCc1cccc(SCCN(C)C)c1
InChIInChI=1S/C13H22N2S/c1-4-14-11-12-6-5-7-13(10-12)16-9-8-15(2)3/h5-7,10,14H,4,8-9,11H2,1-3H3
InChIKeyIZRQHLVLXJIBGV-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
CID 66347194
N-[(3-pentylsulfanylphenyl)methyl]ethanamine
CID 66348037
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613
N-[(3-pent-3-ynylsulfanylphenyl)methyl]ethanamine
CID 104811494
N-[[3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]phenyl]methyl]ethanamine
CID 112591913
2-[3-(ethylaminomethyl)phenyl]sulfanylacetonitrile
CID 66347852
4-[3-(ethylaminomethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349601
4-[3-(ethylaminomethyl)phenyl]sulfanyl-2,2-dimethylbutanenitrile
CID 66347460
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66348810
N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66347067
4-[3-(propylaminomethyl)phenyl]sulfanylbutan-1-ol
CID 66347276

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine (CID 66349608) is 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine is CCNCc1cccc(SCCN(C)C)c1.
What is the InChIKey of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is IZRQHLVLXJIBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-14-11-12-6-5-7-13(10-12)16-9-8-15(2)3/h5-7,10,14H,4,8-9,11H2,1-3H3.
What are the key properties of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine?
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 66349608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).