N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine

C12H19NS — CID 64663343

IUPACN-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine
SMILESCNC(C)c1cccc(SC(C)C)c1
InChIInChI=1S/C12H19NS/c1-9(2)14-12-7-5-6-11(8-12)10(3)13-4/h5-10,13H,1-4H3
InChIKeyXROKMVZCPZZZJY-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.47
Rot. Bonds4

About N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine

N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine (PubChem CID 64663343) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine
PubChem CID64663343
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine
SMILESCNC(C)c1cccc(SC(C)C)c1
InChIInChI=1S/C12H19NS/c1-9(2)14-12-7-5-6-11(8-12)10(3)13-4/h5-10,13H,1-4H3
InChIKeyXROKMVZCPZZZJY-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(3-propan-2-ylsulfanylphenyl)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-(3-but-3-en-2-ylsulfanylphenyl)-N-methylethanamine
CID 64665485
N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
CID 64661334
2-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutanenitrile
CID 64666313
2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol
CID 114497016
N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
1-[3-(3,3-dimethylbutylsulfanyl)phenyl]-N-methylethanamine
CID 64665486
1-(3-but-2-enylsulfanylphenyl)-N-methylethanamine
CID 77055277
4-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 64661544
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine
CID 64664208
2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide
CID 64663351
N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779
N-methyl-1-[3-(2-propoxyethylsulfanyl)phenyl]ethanamine
CID 106458178

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine (CID 64663343) is N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine is CNC(C)c1cccc(SC(C)C)c1.
What is the InChIKey of N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine?
The InChIKey is XROKMVZCPZZZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9(2)14-12-7-5-6-11(8-12)10(3)13-4/h5-10,13H,1-4H3.
What are the key properties of N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine?
N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 64663343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).