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

C17H17NOS — CID 28683496

IUPAC1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol
SMILESC[C@@H](NCc1c(O)ccc2ccccc12)c1cccs1
InChIInChI=1S/C17H17NOS/c1-12(17-7-4-10-20-17)18-11-15-14-6-3-2-5-13(14)8-9-16(15)19/h2-10,12,18-19H,11H2,1H3/t12-/m1/s1
InChIKeyLFCZBLQZYURKII-GFCCVEGCSA-N
MW283.40 g/mol
LogP4.46
Rot. Bonds4

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

1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol (PubChem CID 28683496) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol
PubChem CID28683496
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol
SMILESC[C@@H](NCc1c(O)ccc2ccccc12)c1cccs1
InChIInChI=1S/C17H17NOS/c1-12(17-7-4-10-20-17)18-11-15-14-6-3-2-5-13(14)8-9-16(15)19/h2-10,12,18-19H,11H2,1H3/t12-/m1/s1
InChIKeyLFCZBLQZYURKII-GFCCVEGCSA-N
XLogP4.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol
CID 28643983
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
3-chloro-2-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 78959997
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol
CID 103700917
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol
CID 81394953
2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol
CID 81389862
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
4-bromo-2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 102675102
4-bromo-2-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 113229716
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]naphthalen-2-ol
CID 81388297

Frequently Asked Questions

What is the IUPAC name of 1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol (CID 28683496) is 1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol is C[C@@H](NCc1c(O)ccc2ccccc12)c1cccs1.
What is the InChIKey of 1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol?
The InChIKey is LFCZBLQZYURKII-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NOS/c1-12(17-7-4-10-20-17)18-11-15-14-6-3-2-5-13(14)8-9-16(15)19/h2-10,12,18-19H,11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol?
1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol has a molecular weight of 283.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 28683496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).