2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol

C18H20N2O — CID 79090793

IUPAC2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
SMILESCc1ccc(C)n1NC(C)c1ccc2ccccc2c1O
InChIInChI=1S/C18H20N2O/c1-12-8-9-13(2)20(12)19-14(3)16-11-10-15-6-4-5-7-17(15)18(16)21/h4-11,14,19,21H,1-3H3
InChIKeyIKLIEXFJZXGAPZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.27
Rot. Bonds3

About 2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol

2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol (PubChem CID 79090793) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
PubChem CID79090793
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
SMILESCc1ccc(C)n1NC(C)c1ccc2ccccc2c1O
InChIInChI=1S/C18H20N2O/c1-12-8-9-13(2)20(12)19-14(3)16-11-10-15-6-4-5-7-17(15)18(16)21/h4-11,14,19,21H,1-3H3
InChIKeyIKLIEXFJZXGAPZ-UHFFFAOYSA-N
XLogP4.27
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.27
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-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313
2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
CID 43207098
2-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 63981736
2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 104582863
2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
CID 104582523
2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol
CID 81389862
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
CID 43111802

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol (CID 79090793) is 2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol is Cc1ccc(C)n1NC(C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol?
The InChIKey is IKLIEXFJZXGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-8-9-13(2)20(12)19-14(3)16-11-10-15-6-4-5-7-17(15)18(16)21/h4-11,14,19,21H,1-3H3.
What are the key properties of 2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol?
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol has a molecular weight of 280.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 79090793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).