2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol

C15H25NOS — CID 63967355

IUPAC2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCSCCCNCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-12(2)13-5-7-14(8-6-13)15(17)11-16-9-4-10-18-3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyVDHALNLHHYBRCU-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.19
Rot. Bonds8

About 2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol

2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 63967355) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID63967355
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCSCCCNCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-12(2)13-5-7-14(8-6-13)15(17)11-16-9-4-10-18-3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyVDHALNLHHYBRCU-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.19
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-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63964232
1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535
2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
CID 63966471
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764
1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 63227305
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
5-methylsulfanyl-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 114126756
2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 64569516
N-(3-methylsulfanylpropyl)-2-phenylpropan-1-amine
CID 43182086
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
1-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-4-methylpentan-2-ol
CID 107152724

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol (CID 63967355) is 2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol is CSCCCNCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is VDHALNLHHYBRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(2)13-5-7-14(8-6-13)15(17)11-16-9-4-10-18-3/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of 2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol?
2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 267.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 63967355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).