2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine

C15H25NS — CID 62582800

IUPAC2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
SMILESCC(C)CNCCSc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NS/c1-12(2)11-16-9-10-17-15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyGSOBAWFWZRPAQM-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.15
Rot. Bonds7

About 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine

2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine (PubChem CID 62582800) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
PubChem CID62582800
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
SMILESCC(C)CNCCSc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NS/c1-12(2)11-16-9-10-17-15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyGSOBAWFWZRPAQM-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 61386045
2-methyl-N-[2-(4-methylsulfonylphenyl)sulfanylethyl]propan-1-amine
CID 63238895
N-(2-methylsulfonylethyl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 62583167
2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine
CID 55195921
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]-2-methylpropan-1-amine
CID 115479005
N-[3-(4-methoxyphenyl)sulfanylpropyl]-2-methylpropan-1-amine
CID 62584307
1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene
CID 22891048
N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 61386053
2-phenyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60664680
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63964232
N-(2-phenylsulfanylethyl)-4-propan-2-ylaniline
CID 79211777

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine (CID 62582800) is 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine is CC(C)CNCCSc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine?
The InChIKey is GSOBAWFWZRPAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-12(2)11-16-9-10-17-15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine?
2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 62582800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).