1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol

C18H23NO — CID 64910405

IUPAC1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol
SMILESCC1CCC(NCc2c(O)ccc3ccccc23)C1C
InChIInChI=1S/C18H23NO/c1-12-7-9-17(13(12)2)19-11-16-15-6-4-3-5-14(15)8-10-18(16)20/h3-6,8,10,12-13,17,19-20H,7,9,11H2,1-2H3
InChIKeyHRFUPHOQOQQZCJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.07
Rot. Bonds3

About 1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol

1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol (PubChem CID 64910405) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol
PubChem CID64910405
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol
SMILESCC1CCC(NCc2c(O)ccc3ccccc23)C1C
InChIInChI=1S/C18H23NO/c1-12-7-9-17(13(12)2)19-11-16-15-6-4-3-5-14(15)8-10-18(16)20/h3-6,8,10,12-13,17,19-20H,7,9,11H2,1-2H3
InChIKeyHRFUPHOQOQQZCJ-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol (CID 64910405) is 1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol is CC1CCC(NCc2c(O)ccc3ccccc23)C1C.
What is the InChIKey of 1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol?
The InChIKey is HRFUPHOQOQQZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-7-9-17(13(12)2)19-11-16-15-6-4-3-5-14(15)8-10-18(16)20/h3-6,8,10,12-13,17,19-20H,7,9,11H2,1-2H3.
What are the key properties of 1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol?
1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol has a molecular weight of 269.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 64910405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).