2-(4-propan-2-ylsulfanylphenyl)ethanamine

C11H17NS — CID 63820186

IUPAC2-(4-propan-2-ylsulfanylphenyl)ethanamine
SMILESCC(C)Sc1ccc(CCN)cc1
InChIInChI=1S/C11H17NS/c1-9(2)13-11-5-3-10(4-6-11)7-8-12/h3-6,9H,7-8,12H2,1-2H3
InChIKeyBSZWABBONWZWDP-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-propan-2-ylsulfanylphenyl)ethanamine

2-(4-propan-2-ylsulfanylphenyl)ethanamine (PubChem CID 63820186) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)ethanamine
PubChem CID63820186
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)ethanamine
SMILESCC(C)Sc1ccc(CCN)cc1
InChIInChI=1S/C11H17NS/c1-9(2)13-11-5-3-10(4-6-11)7-8-12/h3-6,9H,7-8,12H2,1-2H3
InChIKeyBSZWABBONWZWDP-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 116924750
3-methyl-3-N-[(4-propan-2-ylsulfanylphenyl)methyl]butane-1,3-diamine
CID 115134739
fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane
CID 143652363
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene
CID 116932253
ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane
CID 143652362
N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
CID 98014943
2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 105425831
N'-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
CID 115225597
2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 63808063
2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63801985

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)ethanamine (CID 63820186) is 2-(4-propan-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)ethanamine is CC(C)Sc1ccc(CCN)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)ethanamine?
The InChIKey is BSZWABBONWZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9(2)13-11-5-3-10(4-6-11)7-8-12/h3-6,9H,7-8,12H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)ethanamine?
2-(4-propan-2-ylsulfanylphenyl)ethanamine has a molecular weight of 195.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 63820186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).