2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol

C14H23NOS — CID 63964232

IUPAC2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCSCCNCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-11(2)12-4-6-13(7-5-12)14(16)10-15-8-9-17-3/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyCTNXSWZZNYTLBX-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.80
Rot. Bonds7

About 2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol

2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 63964232) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID63964232
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCSCCNCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-11(2)12-4-6-13(7-5-12)14(16)10-15-8-9-17-3/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyCTNXSWZZNYTLBX-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63967355
1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 63227305
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535
2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 64569516
2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
CID 63966471
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
1-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-4-methylpentan-2-ol
CID 107152724
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
2-[2-(5-bromothiophen-2-yl)ethylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 106046953
2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 62582800

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol (CID 63964232) is 2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol is CSCCNCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is CTNXSWZZNYTLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11(2)12-4-6-13(7-5-12)14(16)10-15-8-9-17-3/h4-7,11,14-16H,8-10H2,1-3H3.
What are the key properties of 2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol?
2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 253.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 63964232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).