1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

C15H23NO2S — CID 80527898

IUPAC1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCOc1ccc(OC)c(CNCC2(C)CCCS2)c1
InChIInChI=1S/C15H23NO2S/c1-15(7-4-8-19-15)11-16-10-12-9-13(17-2)5-6-14(12)18-3/h5-6,9,16H,4,7-8,10-11H2,1-3H3
InChIKeyNOOBCVVLQFZTSS-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.08
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (PubChem CID 80527898) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
PubChem CID80527898
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCOc1ccc(OC)c(CNCC2(C)CCCS2)c1
InChIInChI=1S/C15H23NO2S/c1-15(7-4-8-19-15)11-16-10-12-9-13(17-2)5-6-14(12)18-3/h5-6,9,16H,4,7-8,10-11H2,1-3H3
InChIKeyNOOBCVVLQFZTSS-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine 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-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528627
1-(4-ethoxy-3-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528549
4-chloro-2-methoxy-6-[[(2-methylthiolan-2-yl)methylamino]methyl]phenol
CID 104646480
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242210
N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635129
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528631
1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 115702799
N-[(2-methylthiolan-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 80528835
1-(4-bromo-2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528679
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247965
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (CID 80527898) is 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is COc1ccc(OC)c(CNCC2(C)CCCS2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The InChIKey is NOOBCVVLQFZTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(7-4-8-19-15)11-16-10-12-9-13(17-2)5-6-14(12)18-3/h5-6,9,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is sourced from PubChem (CID 80527898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).