N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine

C13H21NOS — CID 64627121

IUPACN-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine
SMILESCCNC(CC)CSc1ccccc1OC
InChIInChI=1S/C13H21NOS/c1-4-11(14-5-2)10-16-13-9-7-6-8-12(13)15-3/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyKHHXIJAEJHCXDJ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.18
Rot. Bonds7

About N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine

N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine (PubChem CID 64627121) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine
PubChem CID64627121
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine
SMILESCCNC(CC)CSc1ccccc1OC
InChIInChI=1S/C13H21NOS/c1-4-11(14-5-2)10-16-13-9-7-6-8-12(13)15-3/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyKHHXIJAEJHCXDJ-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-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-(2,2-diethoxyethylsulfanyl)-2-methoxybenzene
CID 10106471
1-(1,1-dideuterio(113C)ethylsulfanyl)-2-methoxybenzene
CID 58500338
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197
1-(1-deuterio-1-protio(113C)ethyl)sulfanyl-2-methoxybenzene
CID 58500194
1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene
CID 60593855
1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79574324
1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64626316
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
CID 66097381
1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66141352
4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine
CID 64628326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine (CID 64627121) is N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine is CCNC(CC)CSc1ccccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine?
The InChIKey is KHHXIJAEJHCXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-11(14-5-2)10-16-13-9-7-6-8-12(13)15-3/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine?
N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine is sourced from PubChem (CID 64627121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).