3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol

C17H21NO3 — CID 104583576

IUPAC3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO3/c1-12(18-10-17(20)8-9-21-11-17)14-7-6-13-4-2-3-5-15(13)16(14)19/h2-7,12,18-20H,8-11H2,1H3
InChIKeyPSWICIGMLIBABD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.35
Rot. Bonds4

About 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol

3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 104583576) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID104583576
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO3/c1-12(18-10-17(20)8-9-21-11-17)14-7-6-13-4-2-3-5-15(13)16(14)19/h2-7,12,18-20H,8-11H2,1H3
InChIKeyPSWICIGMLIBABD-UHFFFAOYSA-N
XLogP2.35
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-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

3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol
CID 114750513
2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol
CID 104584157
2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol
CID 80725546
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
CID 97108238
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 103904866
3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 103904875

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol (CID 104583576) is 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol is CC(NCC1(O)CCOC1)c1ccc2ccccc2c1O.
What is the InChIKey of 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is PSWICIGMLIBABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(18-10-17(20)8-9-21-11-17)14-7-6-13-4-2-3-5-15(13)16(14)19/h2-7,12,18-20H,8-11H2,1H3.
What are the key properties of 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 287.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 104583576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).