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

C17H17NOS — CID 61475104

IUPAC1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNCCc1ccsc1
InChIInChI=1S/C17H17NOS/c19-17-6-5-14-3-1-2-4-15(14)16(17)11-18-9-7-13-8-10-20-12-13/h1-6,8,10,12,18-19H,7,9,11H2
InChIKeyHJWCMQBRVDJVSP-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.94
Rot. Bonds5

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

1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol (PubChem CID 61475104) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol
PubChem CID61475104
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNCCc1ccsc1
InChIInChI=1S/C17H17NOS/c19-17-6-5-14-3-1-2-4-15(14)16(17)11-18-9-7-13-8-10-20-12-13/h1-6,8,10,12,18-19H,7,9,11H2
InChIKeyHJWCMQBRVDJVSP-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol
CID 78916548
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878
1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
CID 61019837
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide
CID 43551924
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
CID 61474992
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60733120
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol
CID 112606678
1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
CID 60912931

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol (CID 61475104) is 1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CNCCc1ccsc1.
What is the InChIKey of 1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol?
The InChIKey is HJWCMQBRVDJVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-17-6-5-14-3-1-2-4-15(14)16(17)11-18-9-7-13-8-10-20-12-13/h1-6,8,10,12,18-19H,7,9,11H2.
What are the key properties of 1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol?
1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol has a molecular weight of 283.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 61475104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).