2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol

C17H21NO2 — CID 104584465

IUPAC2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
SMILESCOC1CC(NC(C)c2ccc3ccccc3c2O)C1
InChIInChI=1S/C17H21NO2/c1-11(18-13-9-14(10-13)20-2)15-8-7-12-5-3-4-6-16(12)17(15)19/h3-8,11,13-14,18-19H,9-10H2,1-2H3
InChIKeyJMEPNQSOIPSHJK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.37
Rot. Bonds4

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

2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol (PubChem CID 104584465) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
PubChem CID104584465
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
SMILESCOC1CC(NC(C)c2ccc3ccccc3c2O)C1
InChIInChI=1S/C17H21NO2/c1-11(18-13-9-14(10-13)20-2)15-8-7-12-5-3-4-6-16(12)17(15)19/h3-8,11,13-14,18-19H,9-10H2,1-2H3
InChIKeyJMEPNQSOIPSHJK-UHFFFAOYSA-N
XLogP3.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.37
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-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol
CID 103083012
2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
CID 104584456
2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol
CID 104583725
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109
2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol
CID 63360322
1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide
CID 104578704
2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
CID 104582701
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol
CID 104584157
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol (CID 104584465) is 2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol is COC1CC(NC(C)c2ccc3ccccc3c2O)C1.
What is the InChIKey of 2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol?
The InChIKey is JMEPNQSOIPSHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(18-13-9-14(10-13)20-2)15-8-7-12-5-3-4-6-16(12)17(15)19/h3-8,11,13-14,18-19H,9-10H2,1-2H3.
What are the key properties of 2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol?
2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 104584465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).