1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol

C15H13NOS — CID 171232072

IUPAC1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol
SMILESN[C@@H](c1cccs1)c1c(O)ccc2ccccc12
InChIInChI=1S/C15H13NOS/c16-15(13-6-3-9-18-13)14-11-5-2-1-4-10(11)7-8-12(14)17/h1-9,15,17H,16H2/t15-/m0/s1
InChIKeyHTLUSOMJFCEYBF-HNNXBMFYSA-N
MW255.34 g/mol
LogP3.65
Rot. Bonds2

About 1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol

1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol (PubChem CID 171232072) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol
PubChem CID171232072
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol
SMILESN[C@@H](c1cccs1)c1c(O)ccc2ccccc12
InChIInChI=1S/C15H13NOS/c16-15(13-6-3-9-18-13)14-11-5-2-1-4-10(11)7-8-12(14)17/h1-9,15,17H,16H2/t15-/m0/s1
InChIKeyHTLUSOMJFCEYBF-HNNXBMFYSA-N
XLogP3.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.65
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

(R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
CID 171232570
(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
CID 171212951
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
(S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171213408
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol
CID 39345448
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
1-[(R)-amino-(3-bromophenyl)methyl]naphthalen-2-ol
CID 39345444
3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
CID 170875681

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol (CID 171232072) is 1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol is N[C@@H](c1cccs1)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol?
The InChIKey is HTLUSOMJFCEYBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13NOS/c16-15(13-6-3-9-18-13)14-11-5-2-1-4-10(11)7-8-12(14)17/h1-9,15,17H,16H2/t15-/m0/s1.
What are the key properties of 1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol?
1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol has a molecular weight of 255.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 171232072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).