2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol

C18H19NOS — CID 61474992

IUPAC2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
SMILESCC(NCCc1ccsc1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H19NOS/c1-13(19-10-8-14-9-11-21-12-14)16-7-6-15-4-2-3-5-17(15)18(16)20/h2-7,9,11-13,19-20H,8,10H2,1H3
InChIKeySBWYLYPLGBWYMX-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.50
Rot. Bonds5

About 2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol

2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol (PubChem CID 61474992) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
PubChem CID61474992
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
SMILESCC(NCCc1ccsc1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H19NOS/c1-13(19-10-8-14-9-11-21-12-14)16-7-6-15-4-2-3-5-17(15)18(16)20/h2-7,9,11-13,19-20H,8,10H2,1H3
InChIKeySBWYLYPLGBWYMX-UHFFFAOYSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]naphthalen-1-ol
CID 64547757
2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
CID 104582523
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
CID 115516053
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
CID 43111802
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
CID 43207266
1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 82773429

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol (CID 61474992) is 2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol is CC(NCCc1ccsc1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol?
The InChIKey is SBWYLYPLGBWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-13(19-10-8-14-9-11-21-12-14)16-7-6-15-4-2-3-5-17(15)18(16)20/h2-7,9,11-13,19-20H,8,10H2,1H3.
What are the key properties of 2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol?
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol has a molecular weight of 297.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol is sourced from PubChem (CID 61474992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).