2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine

C13H22N2S — CID 66354101

IUPAC2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSc1cccc(CN)c1
InChIInChI=1S/C13H22N2S/c1-3-15(4-2)8-9-16-13-7-5-6-12(10-13)11-14/h5-7,10H,3-4,8-9,11,14H2,1-2H3
InChIKeyOFCYDIQRATUMCM-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.58
Rot. Bonds7

About 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine

2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine (PubChem CID 66354101) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine
PubChem CID66354101
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSc1cccc(CN)c1
InChIInChI=1S/C13H22N2S/c1-3-15(4-2)8-9-16-13-7-5-6-12(10-13)11-14/h5-7,10H,3-4,8-9,11,14H2,1-2H3
InChIKeyOFCYDIQRATUMCM-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-propylsulfanylphenyl)methanamine
CID 66356001
[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine
CID 66354536
3-[2-(diethylamino)ethylsulfanyl]benzaldehyde
CID 66354510
[3-(3,3-difluorobutylsulfanyl)phenyl]methanamine
CID 84694932
[3-(3-fluoro-3-methylbutyl)sulfanylphenyl]methanamine
CID 84691373
[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine
CID 84683032
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
CID 66347194
[3-(2-fluoropropylsulfanyl)phenyl]methanamine
CID 84669018
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 66349608
[3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]phenyl]methanamine
CID 66354757
N',N'-diethyl-N-[2-(3-methylphenyl)sulfanylethyl]ethane-1,2-diamine
CID 55092148

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine?
The IUPAC name of 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine (CID 66354101) is 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine is CCN(CC)CCSc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine?
The InChIKey is OFCYDIQRATUMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-15(4-2)8-9-16-13-7-5-6-12(10-13)11-14/h5-7,10H,3-4,8-9,11,14H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine?
2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine is sourced from PubChem (CID 66354101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).