N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine

C12H17NOS — CID 115597475

IUPACN-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ccc1SC
InChIInChI=1S/C12H17NOS/c1-14-11-7-9(3-6-12(11)15-2)8-13-10-4-5-10/h3,6-7,10,13H,4-5,8H2,1-2H3
InChIKeyLOHXWQBOQJRVTC-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.67
Rot. Bonds5

About N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine

N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine (PubChem CID 115597475) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
PubChem CID115597475
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ccc1SC
InChIInChI=1S/C12H17NOS/c1-14-11-7-9(3-6-12(11)15-2)8-13-10-4-5-10/h3,6-7,10,13H,4-5,8H2,1-2H3
InChIKeyLOHXWQBOQJRVTC-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine 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

N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114792
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178
N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84754664
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
4-(iodomethyl)-2-methoxy-1-methylsulfanylbenzene
CID 91881553
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
(2R)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]propan-2-ol
CID 103884180

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine (CID 115597475) is N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine is COc1cc(CNC2CC2)ccc1SC.
What is the InChIKey of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine?
The InChIKey is LOHXWQBOQJRVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-14-11-7-9(3-6-12(11)15-2)8-13-10-4-5-10/h3,6-7,10,13H,4-5,8H2,1-2H3.
What are the key properties of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine?
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine has a molecular weight of 223.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 115597475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).