1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol

C17H23NO3 — CID 28720750

IUPAC1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
SMILESCOCCOCCCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C17H23NO3/c1-20-11-12-21-10-4-9-18-13-16-15-6-3-2-5-14(15)7-8-17(16)19/h2-3,5-8,18-19H,4,9-13H2,1H3
InChIKeyQLYVTNMTOMBWMO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.69
Rot. Bonds9

About 1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol

1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol (PubChem CID 28720750) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
PubChem CID28720750
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
SMILESCOCCOCCCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C17H23NO3/c1-20-11-12-21-10-4-9-18-13-16-15-6-3-2-5-14(15)7-8-17(16)19/h2-3,5-8,18-19H,4,9-13H2,1H3
InChIKeyQLYVTNMTOMBWMO-UHFFFAOYSA-N
XLogP2.69
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 78959669
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
CID 61019837
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
CID 116642987
3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115897809
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878
N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60705007
N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602923

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol (CID 28720750) is 1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol is COCCOCCCNCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol?
The InChIKey is QLYVTNMTOMBWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-11-12-21-10-4-9-18-13-16-15-6-3-2-5-14(15)7-8-17(16)19/h2-3,5-8,18-19H,4,9-13H2,1H3.
What are the key properties of 1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol?
1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 28720750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).