1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol

C15H23NO3S — CID 64988404

IUPAC1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol
SMILESCOc1cc(CNCC(O)C2CC2)c(SC)cc1OC
InChIInChI=1S/C15H23NO3S/c1-18-13-6-11(15(20-3)7-14(13)19-2)8-16-9-12(17)10-4-5-10/h6-7,10,12,16-17H,4-5,8-9H2,1-3H3
InChIKeyDZGKOYUVTKXNFJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.29
Rot. Bonds8

About 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol

1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol (PubChem CID 64988404) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol
PubChem CID64988404
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol
SMILESCOc1cc(CNCC(O)C2CC2)c(SC)cc1OC
InChIInChI=1S/C15H23NO3S/c1-18-13-6-11(15(20-3)7-14(13)19-2)8-16-9-12(17)10-4-5-10/h6-7,10,12,16-17H,4-5,8-9H2,1-3H3
InChIKeyDZGKOYUVTKXNFJ-UHFFFAOYSA-N
XLogP2.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol 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

2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
CID 63298601
N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide
CID 64988148
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115646551
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclobutanamine
CID 64988551
5-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]pentan-2-ol
CID 107267848
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417415
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 119137986
1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743388
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 65021909
4-bromo-2-[[(2-cyclopentyl-2-hydroxyethyl)amino]methyl]-6-methoxyphenol
CID 111425371
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]pentan-1-amine
CID 64989480
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696344

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol (CID 64988404) is 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol is COc1cc(CNCC(O)C2CC2)c(SC)cc1OC.
What is the InChIKey of 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol?
The InChIKey is DZGKOYUVTKXNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-18-13-6-11(15(20-3)7-14(13)19-2)8-16-9-12(17)10-4-5-10/h6-7,10,12,16-17H,4-5,8-9H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol?
1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol has a molecular weight of 297.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol is sourced from PubChem (CID 64988404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).