2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol

C17H21NO2 — CID 43207266

IUPAC2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
SMILESC=COCCCNC(C)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO2/c1-3-20-12-6-11-18-13(2)15-10-9-14-7-4-5-8-16(14)17(15)19/h3-5,7-10,13,18-19H,1,6,11-12H2,2H3
InChIKeyOBQFAAAVVGMHGJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.75
Rot. Bonds7

About 2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol

2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol (PubChem CID 43207266) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
PubChem CID43207266
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
SMILESC=COCCCNC(C)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO2/c1-3-20-12-6-11-18-13(2)15-10-9-14-7-4-5-8-16(14)17(15)19/h3-5,7-10,13,18-19H,1,6,11-12H2,2H3
InChIKeyOBQFAAAVVGMHGJ-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 43207304
2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
CID 115516053
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207338
2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
CID 104582361
2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
CID 104582523
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
CID 43111802
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
CID 61474992
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 43207255

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol (CID 43207266) is 2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol is C=COCCCNC(C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol?
The InChIKey is OBQFAAAVVGMHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-20-12-6-11-18-13(2)15-10-9-14-7-4-5-8-16(14)17(15)19/h3-5,7-10,13,18-19H,1,6,11-12H2,2H3.
What are the key properties of 2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol?
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol is sourced from PubChem (CID 43207266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).