2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine

C14H21NO2S — CID 106494105

IUPAC2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
SMILESCOc1cccc(C(CN)SCC2CCCO2)c1
InChIInChI=1S/C14H21NO2S/c1-16-12-5-2-4-11(8-12)14(9-15)18-10-13-6-3-7-17-13/h2,4-5,8,13-14H,3,6-7,9-10,15H2,1H3
InChIKeyVDRLLQAOGFRWQT-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.61
Rot. Bonds6

About 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine

2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine (PubChem CID 106494105) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
PubChem CID106494105
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
SMILESCOc1cccc(C(CN)SCC2CCCO2)c1
InChIInChI=1S/C14H21NO2S/c1-16-12-5-2-4-11(8-12)14(9-15)18-10-13-6-3-7-17-13/h2,4-5,8,13-14H,3,6-7,9-10,15H2,1H3
InChIKeyVDRLLQAOGFRWQT-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine 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

1-(3-methoxyphenyl)-1-(oxolan-2-ylmethylsulfanyl)butan-2-amine
CID 106494112
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431727
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
2-benzylsulfanyl-2-(3-methoxyphenyl)ethanamine
CID 55017981
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62107947
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 70378403

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine (CID 106494105) is 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine is COc1cccc(C(CN)SCC2CCCO2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
The InChIKey is VDRLLQAOGFRWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-12-5-2-4-11(8-12)14(9-15)18-10-13-6-3-7-17-13/h2,4-5,8,13-14H,3,6-7,9-10,15H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine has a molecular weight of 267.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 106494105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).