2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol

C16H21NOS — CID 63966471

IUPAC2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
SMILESCSCCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NOS/c1-19-10-4-9-17-12-16(18)15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16-18H,4,9-10,12H2,1H3
InChIKeyBGNFNLYZEVVHIY-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.22
Rot. Bonds7

About 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol

2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol (PubChem CID 63966471) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
PubChem CID63966471
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
SMILESCSCCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NOS/c1-19-10-4-9-17-12-16(18)15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16-18H,4,9-10,12H2,1H3
InChIKeyBGNFNLYZEVVHIY-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63967355
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
N-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide
CID 111434804
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
CID 106237033
2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
CID 60918702
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
CID 106246545
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
CID 114467654

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol?
The IUPAC name of 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol (CID 63966471) is 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol is CSCCCNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol?
The InChIKey is BGNFNLYZEVVHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-19-10-4-9-17-12-16(18)15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16-18H,4,9-10,12H2,1H3.
What are the key properties of 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol?
2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol has a molecular weight of 275.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol is sourced from PubChem (CID 63966471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).