1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine

C18H23NS — CID 115844363

IUPAC1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCSc1ccccc1C(N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23NS/c1-13(2)15-10-8-14(9-11-15)12-17(19)16-6-4-5-7-18(16)20-3/h4-11,13,17H,12,19H2,1-3H3
InChIKeyRHVFDFDNXKGEFX-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.77
Rot. Bonds5

About 1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine

1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115844363) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID115844363
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCSc1ccccc1C(N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23NS/c1-13(2)15-10-8-14(9-11-15)12-17(19)16-6-4-5-7-18(16)20-3/h4-11,13,17H,12,19H2,1-3H3
InChIKeyRHVFDFDNXKGEFX-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115803857
[1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105297270
2-(3-bromo-4-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115819033
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
2-(4-propan-2-ylphenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103126751
1-[chloro-(2-methylsulfanylphenyl)methyl]-4-propan-2-ylbenzene
CID 79218072
1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63419710
1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62691729
1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79217934
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232
2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 102622535
1-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844158

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine (CID 115844363) is 1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine is CSc1ccccc1C(N)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is RHVFDFDNXKGEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-13(2)15-10-8-14(9-11-15)12-17(19)16-6-4-5-7-18(16)20-3/h4-11,13,17H,12,19H2,1-3H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine?
1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115844363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).