N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine

C13H21NS — CID 60885151

IUPACN-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine
SMILESCCNC(C)c1ccccc1SC(C)C
InChIInChI=1S/C13H21NS/c1-5-14-11(4)12-8-6-7-9-13(12)15-10(2)3/h6-11,14H,5H2,1-4H3
InChIKeyORCDZSBOCNDEON-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.86
Rot. Bonds5

About N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine

N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine (PubChem CID 60885151) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine
PubChem CID60885151
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine
SMILESCCNC(C)c1ccccc1SC(C)C
InChIInChI=1S/C13H21NS/c1-5-14-11(4)12-8-6-7-9-13(12)15-10(2)3/h6-11,14H,5H2,1-4H3
InChIKeyORCDZSBOCNDEON-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 82969763
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037
1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115765369
1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 43286383
(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol
CID 78951470
N-ethyl-1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
CID 43286196
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 106923251
N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
CID 60858301
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
5-[2-[1-(ethylamino)ethyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736606
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine (CID 60885151) is N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine is CCNC(C)c1ccccc1SC(C)C.
What is the InChIKey of N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine?
The InChIKey is ORCDZSBOCNDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-5-14-11(4)12-8-6-7-9-13(12)15-10(2)3/h6-11,14H,5H2,1-4H3.
What are the key properties of N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine?
N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine has a molecular weight of 223.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 60885151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).