2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol

C18H23NO2 — CID 104583725

IUPAC2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol
SMILESCC1CC(NC(C)c2ccc3ccccc3c2O)CCO1
InChIInChI=1S/C18H23NO2/c1-12-11-15(9-10-21-12)19-13(2)16-8-7-14-5-3-4-6-17(14)18(16)20/h3-8,12-13,15,19-20H,9-11H2,1-2H3
InChIKeyXECQLVUGNYPRIW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.76
Rot. Bonds3

About 2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol

2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol (PubChem CID 104583725) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol
PubChem CID104583725
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol
SMILESCC1CC(NC(C)c2ccc3ccccc3c2O)CCO1
InChIInChI=1S/C18H23NO2/c1-12-11-15(9-10-21-12)19-13(2)16-8-7-14-5-3-4-6-17(14)18(16)20/h3-8,12-13,15,19-20H,9-11H2,1-2H3
InChIKeyXECQLVUGNYPRIW-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.76
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-(oxan-3-ylamino)ethyl]naphthalen-1-ol
CID 63360322
2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
CID 104584465
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
(2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine
CID 98856115
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
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine
CID 103907210
2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
CID 104582701
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol
CID 104961914
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine
CID 103907162

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol (CID 104583725) is 2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol is CC1CC(NC(C)c2ccc3ccccc3c2O)CCO1.
What is the InChIKey of 2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol?
The InChIKey is XECQLVUGNYPRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-11-15(9-10-21-12)19-13(2)16-8-7-14-5-3-4-6-17(14)18(16)20/h3-8,12-13,15,19-20H,9-11H2,1-2H3.
What are the key properties of 2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol?
2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 104583725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).