1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine

C18H23NS — CID 64633802

IUPAC1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1cccc(CSCC(N)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H23NS/c1-13-5-4-6-16(9-13)11-20-12-18(19)17-10-14(2)7-8-15(17)3/h4-10,18H,11-12,19H2,1-3H3
InChIKeyWTOPIGGZGHMAAK-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.55
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine

1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine (PubChem CID 64633802) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
PubChem CID64633802
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1cccc(CSCC(N)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H23NS/c1-13-5-4-6-16(9-13)11-20-12-18(19)17-10-14(2)7-8-15(17)3/h4-10,18H,11-12,19H2,1-3H3
InChIKeyWTOPIGGZGHMAAK-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 64633986
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634409
2-amino-3-[(3-methylphenyl)methylsulfanyl]propanenitrile
CID 62766585
3-[(3-methylphenyl)methylsulfanyl]propane-1,2-diol
CID 79683070
1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784313
3-[(3-methylphenyl)methylsulfanyl]-2-phenylpropan-1-amine
CID 64538465
(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine
CID 105018566
methyl 3-[2-amino-2-(2,5-dimethylphenyl)ethyl]sulfanylpropanoate
CID 64612895
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64648131
methyl 3-[(3-methylphenyl)methylsulfanyl]-2-(propan-2-ylamino)propanoate
CID 55113317

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine (CID 64633802) is 1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine is Cc1cccc(CSCC(N)c2cc(C)ccc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
The InChIKey is WTOPIGGZGHMAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-13-5-4-6-16(9-13)11-20-12-18(19)17-10-14(2)7-8-15(17)3/h4-10,18H,11-12,19H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 64633802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).