(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride

C9H14ClNS — CID 53484788

IUPAC(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
SMILESCSc1ccc([C@H](C)N)cc1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-7(10)8-3-5-9(11-2)6-4-8;/h3-7H,10H2,1-2H3;1H/t7-;/m0./s1
InChIKeyFIKZELFTBUJWNB-FJXQXJEOSA-N
MW203.74 g/mol
LogP2.85
Rot. Bonds2

About (1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride

(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride (PubChem CID 53484788) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is (1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
PubChem CID53484788
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
SMILESCSc1ccc([C@H](C)N)cc1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-7(10)8-3-5-9(11-2)6-4-8;/h3-7H,10H2,1-2H3;1H/t7-;/m0./s1
InChIKeyFIKZELFTBUJWNB-FJXQXJEOSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol
CID 55270641
(1R)-2-methyl-1-(4-methylsulfanylphenyl)butan-1-amine;hydrochloride
CID 171212740
(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride
CID 168719793
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
hydrazinyl-(4-methylsulfanylphenyl)methanamine
CID 116947480
2-amino-2-(4-methylsulfanylphenyl)acetaldehyde
CID 116939067
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171212727
(1S)-2,2,3,3,3-pentafluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171311910
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
CID 105028980

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride (CID 53484788) is (1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride is CSc1ccc([C@H](C)N)cc1.Cl.
What is the InChIKey of (1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride?
The InChIKey is FIKZELFTBUJWNB-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c1-7(10)8-3-5-9(11-2)6-4-8;/h3-7H,10H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride?
(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride has a molecular weight of 203.74 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 53484788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).