5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol

C17H18N2O — CID 66416710

IUPAC5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol
SMILESCCn1ccc(CNc2cccc3c(O)cccc23)c1
InChIInChI=1S/C17H18N2O/c1-2-19-10-9-13(12-19)11-18-16-7-3-6-15-14(16)5-4-8-17(15)20/h3-10,12,18,20H,2,11H2,1H3
InChIKeyPZNJFFUGSYSEJR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.98
Rot. Bonds4

About 5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol

5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol (PubChem CID 66416710) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol
PubChem CID66416710
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol
SMILESCCn1ccc(CNc2cccc3c(O)cccc23)c1
InChIInChI=1S/C17H18N2O/c1-2-19-10-9-13(12-19)11-18-16-7-3-6-15-14(16)5-4-8-17(15)20/h3-10,12,18,20H,2,11H2,1H3
InChIKeyPZNJFFUGSYSEJR-UHFFFAOYSA-N
XLogP3.98
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-3-yl)methyl]-2-iodoaniline
CID 66398837
N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine
CID 66414166
N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline
CID 66416123
2-[(1-ethylpyrrol-3-yl)methylamino]-6-methylbenzonitrile
CID 107803182
ethyl 2-[(1-ethylpyrrol-3-yl)methylamino]benzoate
CID 66397344
N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
CID 66400281
5-(pyridin-3-ylmethylamino)naphthalen-1-ol
CID 43742968
N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine
CID 66397773
5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol
CID 83089796
2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66400502
5-chloro-N-[(1-ethylpyrrol-3-yl)methyl]-2-fluoroaniline
CID 66397354
N-[(1-ethylpyrrol-3-yl)methyl]-2-fluoro-5-methylaniline
CID 66397973

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol?
The IUPAC name of 5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol (CID 66416710) is 5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol.
What is the SMILES notation for 5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol?
The canonical SMILES for 5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol is CCn1ccc(CNc2cccc3c(O)cccc23)c1.
What is the InChIKey of 5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol?
The InChIKey is PZNJFFUGSYSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-19-10-9-13(12-19)11-18-16-7-3-6-15-14(16)5-4-8-17(15)20/h3-10,12,18,20H,2,11H2,1H3.
What are the key properties of 5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol?
5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol is sourced from PubChem (CID 66416710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).