3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol

C17H23NO3 — CID 63057433

IUPAC3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
SMILESCOCCNCc1c(OCCCO)ccc2ccccc12
InChIInChI=1S/C17H23NO3/c1-20-12-9-18-13-16-15-6-3-2-5-14(15)7-8-17(16)21-11-4-10-19/h2-3,5-8,18-19H,4,9-13H2,1H3
InChIKeySNZHDFWHSKLHES-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds9

About 3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol

3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol (PubChem CID 63057433) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
PubChem CID63057433
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
SMILESCOCCNCc1c(OCCCO)ccc2ccccc12
InChIInChI=1S/C17H23NO3/c1-20-12-9-18-13-16-15-6-3-2-5-14(15)7-8-17(16)21-11-4-10-19/h2-3,5-8,18-19H,4,9-13H2,1H3
InChIKeySNZHDFWHSKLHES-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63056266
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine
CID 54804539
3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
CID 62229347
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
1-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54849395
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 17294824
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
N-[(2-butoxynaphthalen-1-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849521

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol?
The IUPAC name of 3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol (CID 63057433) is 3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol?
The canonical SMILES for 3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol is COCCNCc1c(OCCCO)ccc2ccccc12.
What is the InChIKey of 3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol?
The InChIKey is SNZHDFWHSKLHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-12-9-18-13-16-15-6-3-2-5-14(15)7-8-17(16)21-11-4-10-19/h2-3,5-8,18-19H,4,9-13H2,1H3.
What are the key properties of 3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol?
3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol is sourced from PubChem (CID 63057433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).