N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine

C15H23F2NOS — CID 103702078

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1ccccc1OC(F)F)SC
InChIInChI=1S/C15H23F2NOS/c1-4-15(5-2,20-3)11-18-10-12-8-6-7-9-13(12)19-14(16)17/h6-9,14,18H,4-5,10-11H2,1-3H3
InChIKeyZYLCPULEXUDDBC-UHFFFAOYSA-N
MW303.42 g/mol
LogP4.30
Rot. Bonds9

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine (PubChem CID 103702078) has the molecular formula C15H23F2NOS and a molecular weight of 303.42 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
PubChem CID103702078
Molecular FormulaC15H23F2NOS
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1ccccc1OC(F)F)SC
InChIInChI=1S/C15H23F2NOS/c1-4-15(5-2,20-3)11-18-10-12-8-6-7-9-13(12)19-14(16)17/h6-9,14,18H,4-5,10-11H2,1-3H3
InChIKeyZYLCPULEXUDDBC-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-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

2-ethyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 103702186
2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702098
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
CID 111118941
N-[(2,3-difluorophenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 113243609
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]benzene-1,2-diol
CID 113357920
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
CID 115655473
2-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]-6-fluorophenol
CID 103948928
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine
CID 103702107

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine (CID 103702078) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine is CCC(CC)(CNCc1ccccc1OC(F)F)SC.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine?
The InChIKey is ZYLCPULEXUDDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NOS/c1-4-15(5-2,20-3)11-18-10-12-8-6-7-9-13(12)19-14(16)17/h6-9,14,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine has a molecular weight of 303.42 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103702078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).