(2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride

C12H20ClNS — CID 69223599

IUPAC(2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride
SMILESCCN[C@@H](C)Cc1ccc(SC)cc1.Cl
InChIInChI=1S/C12H19NS.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H/t10-;/m0./s1
InChIKeyAIVFRPPCZNLUCA-PPHPATTJSA-N
MW245.82 g/mol
LogP3.37
Rot. Bonds5

About (2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride

(2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride (PubChem CID 69223599) has the molecular formula C12H20ClNS and a molecular weight of 245.82 g/mol. Its IUPAC name is (2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride
PubChem CID69223599
Molecular FormulaC12H20ClNS
Molecular Weight245.82 g/mol
Exact Mass245.10
IUPAC Name(2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride
SMILESCCN[C@@H](C)Cc1ccc(SC)cc1.Cl
InChIInChI=1S/C12H19NS.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H/t10-;/m0./s1
InChIKeyAIVFRPPCZNLUCA-PPHPATTJSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine
CID 44613190
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 60943980
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069
1-ethyl-4-methylsulfanylbenzene
CID 142218139
N-propyl-1-(4-propylphenyl)propan-2-amine
CID 82262360
1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 3126332
(2R)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781284

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of (2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride (CID 69223599) is (2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for (2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride is CCN[C@@H](C)Cc1ccc(SC)cc1.Cl.
What is the InChIKey of (2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride?
The InChIKey is AIVFRPPCZNLUCA-PPHPATTJSA-N. The full InChI is InChI=1S/C12H19NS.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of (2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride?
(2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride has a molecular weight of 245.82 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 69223599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).