3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol

C16H21NO3 — CID 103377295

IUPAC3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol
SMILESCOc1ccc2ccccc2c1C(CN)OCCCO
InChIInChI=1S/C16H21NO3/c1-19-14-8-7-12-5-2-3-6-13(12)16(14)15(11-17)20-10-4-9-18/h2-3,5-8,15,18H,4,9-11,17H2,1H3
InChIKeyOWHAFJNOVBFPKU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds7

About 3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol

3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol (PubChem CID 103377295) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol
PubChem CID103377295
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol
SMILESCOc1ccc2ccccc2c1C(CN)OCCCO
InChIInChI=1S/C16H21NO3/c1-19-14-8-7-12-5-2-3-6-13(12)16(14)15(11-17)20-10-4-9-18/h2-3,5-8,15,18H,4,9-11,17H2,1H3
InChIKeyOWHAFJNOVBFPKU-UHFFFAOYSA-N
XLogP2.25
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
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

1-(2-methoxynaphthalen-1-yl)-N,N-dimethylethane-1,2-diamine
CID 43380372
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol
CID 103377357
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 171243957
1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43380370
1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine
CID 62069963
2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol
CID 79415266
2-(2-methoxynaphthalen-1-yl)-2-(methylamino)ethanol
CID 61055521
(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol
CID 171243959
(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
CID 171212923
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol?
The IUPAC name of 3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol (CID 103377295) is 3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol?
The canonical SMILES for 3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol is COc1ccc2ccccc2c1C(CN)OCCCO.
What is the InChIKey of 3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol?
The InChIKey is OWHAFJNOVBFPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-14-8-7-12-5-2-3-6-13(12)16(14)15(11-17)20-10-4-9-18/h2-3,5-8,15,18H,4,9-11,17H2,1H3.
What are the key properties of 3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol?
3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(2-methoxynaphthalen-1-yl)ethoxy]propan-1-ol is sourced from PubChem (CID 103377295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).