1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine

C12H19NS — CID 82265056

IUPAC1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine
SMILESCc1ccc(SC(C)C)c(C(C)N)c1
InChIInChI=1S/C12H19NS/c1-8(2)14-12-6-5-9(3)7-11(12)10(4)13/h5-8,10H,13H2,1-4H3
InChIKeySJRXMBIPKANYPX-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.52
Rot. Bonds3

About 1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine

1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine (PubChem CID 82265056) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine
PubChem CID82265056
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine
SMILESCc1ccc(SC(C)C)c(C(C)N)c1
InChIInChI=1S/C12H19NS/c1-8(2)14-12-6-5-9(3)7-11(12)10(4)13/h5-8,10H,13H2,1-4H3
InChIKeySJRXMBIPKANYPX-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)ethanamine
CID 4991344
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene
CID 156775921
(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936431
N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide
CID 166899873
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863256
(1R)-1-(2-but-2-ynoxy-5-methylphenyl)ethanamine
CID 63367180
(1S)-1-(2-but-2-ynoxy-5-methylphenyl)ethanamine
CID 78936543
1-(2,5-dimethylphenyl)sulfanylethanamine
CID 117032475

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of 1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine (CID 82265056) is 1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for 1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for 1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine is Cc1ccc(SC(C)C)c(C(C)N)c1.
What is the InChIKey of 1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine?
The InChIKey is SJRXMBIPKANYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-8(2)14-12-6-5-9(3)7-11(12)10(4)13/h5-8,10H,13H2,1-4H3.
What are the key properties of 1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine?
1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 82265056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).