1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine

C13H19NO2S — CID 117386726

IUPAC1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)ccc(SC)c1OC
InChIInChI=1S/C13H19NO2S/c1-15-11-9(8-13(14)6-7-13)4-5-10(17-3)12(11)16-2/h4-5H,6-8,14H2,1-3H3
InChIKeyWRHSTNFHTAQTAV-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.46
Rot. Bonds5

About 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine

1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117386726) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine
PubChem CID117386726
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)ccc(SC)c1OC
InChIInChI=1S/C13H19NO2S/c1-15-11-9(8-13(14)6-7-13)4-5-10(17-3)12(11)16-2/h4-5H,6-8,14H2,1-3H3
InChIKeyWRHSTNFHTAQTAV-UHFFFAOYSA-N
XLogP2.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-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

1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
1-(2,3-dimethoxy-4-methylsulfanylphenyl)-2-methylpropan-2-amine
CID 117391912
[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117451936
1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117324499
1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117320065
1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117486894
1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117342410
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117341162
4-(2,3-dimethoxy-4-methylsulfanylphenyl)butanoic acid
CID 117429231
1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117364434

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine (CID 117386726) is 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine is COc1c(CC2(N)CC2)ccc(SC)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is WRHSTNFHTAQTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-15-11-9(8-13(14)6-7-13)4-5-10(17-3)12(11)16-2/h4-5H,6-8,14H2,1-3H3.
What are the key properties of 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine?
1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117386726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).