2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol

C17H21NO2 — CID 63360322

IUPAC2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol
SMILESCC(NC1CCCOC1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO2/c1-12(18-14-6-4-10-20-11-14)15-9-8-13-5-2-3-7-16(13)17(15)19/h2-3,5,7-9,12,14,18-19H,4,6,10-11H2,1H3
InChIKeyUHOPRBXSUYQVEZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.38
Rot. Bonds3

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

2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol (PubChem CID 63360322) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol
PubChem CID63360322
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol
SMILESCC(NC1CCCOC1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO2/c1-12(18-14-6-4-10-20-11-14)15-9-8-13-5-2-3-7-16(13)17(15)19/h2-3,5,7-9,12,14,18-19H,4,6,10-11H2,1H3
InChIKeyUHOPRBXSUYQVEZ-UHFFFAOYSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.38
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-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol
CID 104583725
2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
CID 104584465
2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol
CID 103083012
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
CID 104582701
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109
2-[1-(oxan-3-ylamino)propyl]phenol
CID 63359773
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol (CID 63360322) is 2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol is CC(NC1CCCOC1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol?
The InChIKey is UHOPRBXSUYQVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(18-14-6-4-10-20-11-14)15-9-8-13-5-2-3-7-16(13)17(15)19/h2-3,5,7-9,12,14,18-19H,4,6,10-11H2,1H3.
What are the key properties of 2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol?
2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol is sourced from PubChem (CID 63360322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).