N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine

C16H26N2S — CID 105346911

IUPACN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine
SMILESCCNCCc1ccc(CN(C)C2CCSC2)cc1
InChIInChI=1S/C16H26N2S/c1-3-17-10-8-14-4-6-15(7-5-14)12-18(2)16-9-11-19-13-16/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyGDUVFJSIKWGGDZ-UHFFFAOYSA-N
MW278.47 g/mol
LogP2.78
Rot. Bonds7

About N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine (PubChem CID 105346911) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine
PubChem CID105346911
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine
SMILESCCNCCc1ccc(CN(C)C2CCSC2)cc1
InChIInChI=1S/C16H26N2S/c1-3-17-10-8-14-4-6-15(7-5-14)12-18(2)16-9-11-19-13-16/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyGDUVFJSIKWGGDZ-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 43296812
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 55074886
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 62421855
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 105347488
5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62183800
2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
CID 105347717
(E)-3-[4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375455
[2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol
CID 130215315
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257
N-[4-(2-aminoethyl)phenyl]-N-methylthiolan-3-amine
CID 63784257
N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347684

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine (CID 105346911) is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine is CCNCCc1ccc(CN(C)C2CCSC2)cc1.
What is the InChIKey of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine?
The InChIKey is GDUVFJSIKWGGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-17-10-8-14-4-6-15(7-5-14)12-18(2)16-9-11-19-13-16/h4-7,16-17H,3,8-13H2,1-2H3.
What are the key properties of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine?
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine has a molecular weight of 278.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 105346911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).