2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol

C18H25NO2 — CID 82958441

IUPAC2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol
SMILESCCN(C(C)COC)C(C)c1ccc2ccccc2c1O
InChIInChI=1S/C18H25NO2/c1-5-19(13(2)12-21-4)14(3)16-11-10-15-8-6-7-9-17(15)18(16)20/h6-11,13-14,20H,5,12H2,1-4H3
InChIKeyBYURIIKLBVDBSQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.96
Rot. Bonds6

About 2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol

2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol (PubChem CID 82958441) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol
PubChem CID82958441
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol
SMILESCCN(C(C)COC)C(C)c1ccc2ccccc2c1O
InChIInChI=1S/C18H25NO2/c1-5-19(13(2)12-21-4)14(3)16-11-10-15-8-6-7-9-17(15)18(16)20/h6-11,13-14,20H,5,12H2,1-4H3
InChIKeyBYURIIKLBVDBSQ-UHFFFAOYSA-N
XLogP3.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82958657
2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82977951
2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol
CID 82958439
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 104582639
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
methyl 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]-2-methylpropanoate
CID 43726068
2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
CID 23082396
methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate
CID 135040960
3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide
CID 105400787
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
CID 43207266
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol (CID 82958441) is 2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol is CCN(C(C)COC)C(C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol?
The InChIKey is BYURIIKLBVDBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-19(13(2)12-21-4)14(3)16-11-10-15-8-6-7-9-17(15)18(16)20/h6-11,13-14,20H,5,12H2,1-4H3.
What are the key properties of 2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol?
2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol has a molecular weight of 287.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 82958441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).