N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine

C15H24N2S — CID 55074886

IUPACN-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
SMILESCCNCc1ccccc1CN(C)C1CCSC1
InChIInChI=1S/C15H24N2S/c1-3-16-10-13-6-4-5-7-14(13)11-17(2)15-8-9-18-12-15/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyJIAFABPNPMJMNE-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.73
Rot. Bonds6

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

N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine (PubChem CID 55074886) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
PubChem CID55074886
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
SMILESCCNCc1ccccc1CN(C)C1CCSC1
InChIInChI=1S/C15H24N2S/c1-3-16-10-13-6-4-5-7-14(13)11-17(2)15-8-9-18-12-15/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyJIAFABPNPMJMNE-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine 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

N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine
CID 62421861
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 62421855
methyl 2-[[methyl(thiolan-3-yl)amino]methyl]benzoate
CID 82969785
2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide
CID 55213439
4-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine
CID 62279217
4-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106775170
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine
CID 105346911
5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 114215986
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62413781
N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine
CID 62422601

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine (CID 55074886) is N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine is CCNCc1ccccc1CN(C)C1CCSC1.
What is the InChIKey of N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine?
The InChIKey is JIAFABPNPMJMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-16-10-13-6-4-5-7-14(13)11-17(2)15-8-9-18-12-15/h4-7,15-16H,3,8-12H2,1-2H3.
What are the key properties of N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine?
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine has a molecular weight of 264.44 g/mol, XLogP of 2.73, 6 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-methylthiolan-3-amine is sourced from PubChem (CID 55074886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).