(2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine

C14H21NO2S — CID 105145112

IUPAC(2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine
SMILESCOc1ccc(C(N)C2(C)CCCS2)c(OC)c1
InChIInChI=1S/C14H21NO2S/c1-14(7-4-8-18-14)13(15)11-6-5-10(16-2)9-12(11)17-3/h5-6,9,13H,4,7-8,15H2,1-3H3
InChIKeyLEMZIFOVHNUBHF-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.99
Rot. Bonds4

About (2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine

(2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine (PubChem CID 105145112) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine
PubChem CID105145112
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine
SMILESCOc1ccc(C(N)C2(C)CCCS2)c(OC)c1
InChIInChI=1S/C14H21NO2S/c1-14(7-4-8-18-14)13(15)11-6-5-10(16-2)9-12(11)17-3/h5-6,9,13H,4,7-8,15H2,1-3H3
InChIKeyLEMZIFOVHNUBHF-UHFFFAOYSA-N
XLogP2.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine
CID 116762780
(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine
CID 105180756
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine
CID 105186271
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S,2R)-2-amino-1-cyclobutyl-2-(2,4-dimethoxyphenyl)ethanol
CID 171161039
[(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105231871
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005449

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine (CID 105145112) is (2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine is COc1ccc(C(N)C2(C)CCCS2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine?
The InChIKey is LEMZIFOVHNUBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(7-4-8-18-14)13(15)11-6-5-10(16-2)9-12(11)17-3/h5-6,9,13H,4,7-8,15H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine?
(2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine has a molecular weight of 267.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine is sourced from PubChem (CID 105145112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).