2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol

C18H23NO2 — CID 104584157

IUPAC2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol
SMILESCOC1(CNC(C)c2ccc3ccccc3c2O)CCC1
InChIInChI=1S/C18H23NO2/c1-13(19-12-18(21-2)10-5-11-18)15-9-8-14-6-3-4-7-16(14)17(15)20/h3-4,6-9,13,19-20H,5,10-12H2,1-2H3
InChIKeyVJJLDZYCOIHAQR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.77
Rot. Bonds5

About 2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol

2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol (PubChem CID 104584157) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol
PubChem CID104584157
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol
SMILESCOC1(CNC(C)c2ccc3ccccc3c2O)CCC1
InChIInChI=1S/C18H23NO2/c1-13(19-12-18(21-2)10-5-11-18)15-9-8-14-6-3-4-7-16(14)17(15)20/h3-4,6-9,13,19-20H,5,10-12H2,1-2H3
InChIKeyVJJLDZYCOIHAQR-UHFFFAOYSA-N
XLogP3.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
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-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol
CID 114750513
2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol
CID 80725546
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 104583576
1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
CID 103980217
N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine
CID 103980206
2-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 63981736
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
CID 104584465
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol (CID 104584157) is 2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol is COC1(CNC(C)c2ccc3ccccc3c2O)CCC1.
What is the InChIKey of 2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol?
The InChIKey is VJJLDZYCOIHAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(19-12-18(21-2)10-5-11-18)15-9-8-14-6-3-4-7-16(14)17(15)20/h3-4,6-9,13,19-20H,5,10-12H2,1-2H3.
What are the key properties of 2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol?
2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 104584157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).