[2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

C18H28N2O — CID 61218239

IUPAC[2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCCOC1CCN(C2(CN)CCc3ccccc3C2)CC1
InChIInChI=1S/C18H28N2O/c1-2-21-17-8-11-20(12-9-17)18(14-19)10-7-15-5-3-4-6-16(15)13-18/h3-6,17H,2,7-14,19H2,1H3
InChIKeyYBULYOLKYBRXDH-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.37
Rot. Bonds4

About [2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

[2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 61218239) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID61218239
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCCOC1CCN(C2(CN)CCc3ccccc3C2)CC1
InChIInChI=1S/C18H28N2O/c1-2-21-17-8-11-20(12-9-17)18(14-19)10-7-15-5-3-4-6-16(15)13-18/h3-6,17H,2,7-14,19H2,1H3
InChIKeyYBULYOLKYBRXDH-UHFFFAOYSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 61218239) is [2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is CCOC1CCN(C2(CN)CCc3ccccc3C2)CC1.
What is the InChIKey of [2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is YBULYOLKYBRXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-21-17-8-11-20(12-9-17)18(14-19)10-7-15-5-3-4-6-16(15)13-18/h3-6,17H,2,7-14,19H2,1H3.
What are the key properties of [2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 61218239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).