N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine

C14H21NOS — CID 55140919

IUPACN-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1SC1CCOCC1
InChIInChI=1S/C14H21NOS/c1-11(15-2)13-5-3-4-6-14(13)17-12-7-9-16-10-8-12/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyYGWVJCSZLLZUHN-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.24
Rot. Bonds4

About N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine

N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine (PubChem CID 55140919) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine
PubChem CID55140919
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC NameN-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1SC1CCOCC1
InChIInChI=1S/C14H21NOS/c1-11(15-2)13-5-3-4-6-14(13)17-12-7-9-16-10-8-12/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyYGWVJCSZLLZUHN-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine 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-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 62996267
N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61287998
[2-(oxan-4-ylsulfanyl)phenyl]methanol
CID 63835548
2-(oxan-4-ylsulfanyl)benzoic acid
CID 62995870
4-(oxan-4-ylsulfanyl)naphthalen-1-ol
CID 112596088
N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine
CID 114056862
1-[5-bromo-2-(oxan-4-ylsulfanyl)phenyl]ethanol
CID 82973582
1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 62996268
1-[3-fluoro-2-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 114059014
1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine
CID 84727528
N-[[2-chloro-6-(oxan-4-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63813329
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine (CID 55140919) is N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine is CNC(C)c1ccccc1SC1CCOCC1.
What is the InChIKey of N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine?
The InChIKey is YGWVJCSZLLZUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(15-2)13-5-3-4-6-14(13)17-12-7-9-16-10-8-12/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine?
N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine has a molecular weight of 251.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 55140919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).