2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine

C19H25NS — CID 64633986

IUPAC2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cccc(CSCC(N)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25NS/c1-13-6-5-7-17(10-13)11-21-12-18(20)19-15(3)8-14(2)9-16(19)4/h5-10,18H,11-12,20H2,1-4H3
InChIKeyGDTHIBUKHIVDGV-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.85
Rot. Bonds5

About 2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine

2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64633986) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64633986
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cccc(CSCC(N)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25NS/c1-13-6-5-7-17(10-13)11-21-12-18(20)19-15(3)8-14(2)9-16(19)4/h5-10,18H,11-12,20H2,1-4H3
InChIKeyGDTHIBUKHIVDGV-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
CID 64633802
2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 62388506
2-amino-3-[(3-methylphenyl)methylsulfanyl]propanenitrile
CID 62766585
3-[(3-methylphenyl)methylsulfanyl]propane-1,2-diol
CID 79683070
3-[(3-methylphenyl)methylsulfanyl]-2-phenylpropan-1-amine
CID 64538465
methyl 3-[(3-methylphenyl)methylsulfanyl]-2-(propan-2-ylamino)propanoate
CID 55113317
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
2-(ethylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
CID 64808400
1-[(3-methylphenyl)methylsulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 55112688
trifluoro-[(3-methylphenyl)methylsulfanylmethyl]boranuide
CID 63703401
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
ethyl 2-amino-4-[(3-methylphenyl)methylsulfanyl]butanoate
CID 63035647

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine (CID 64633986) is 2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cccc(CSCC(N)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is GDTHIBUKHIVDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-13-6-5-7-17(10-13)11-21-12-18(20)19-15(3)8-14(2)9-16(19)4/h5-10,18H,11-12,20H2,1-4H3.
What are the key properties of 2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine?
2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 299.48 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64633986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).