2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol

C18H23NO2 — CID 60889031

IUPAC2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol
SMILESCC(N)c1ccc2ccccc2c1OC1CCCCC1O
InChIInChI=1S/C18H23NO2/c1-12(19)14-11-10-13-6-2-3-7-15(13)18(14)21-17-9-5-4-8-16(17)20/h2-3,6-7,10-12,16-17,20H,4-5,8-9,19H2,1H3
InChIKeyZFPHZEZMSCHIAR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.54
Rot. Bonds3

About 2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol

2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol (PubChem CID 60889031) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol
PubChem CID60889031
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol
SMILESCC(N)c1ccc2ccccc2c1OC1CCCCC1O
InChIInChI=1S/C18H23NO2/c1-12(19)14-11-10-13-6-2-3-7-15(13)18(14)21-17-9-5-4-8-16(17)20/h2-3,6-7,10-12,16-17,20H,4-5,8-9,19H2,1H3
InChIKeyZFPHZEZMSCHIAR-UHFFFAOYSA-N
XLogP3.54
TPSA55.48 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 ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol?
The IUPAC name of 2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol (CID 60889031) is 2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol?
The canonical SMILES for 2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol is CC(N)c1ccc2ccccc2c1OC1CCCCC1O.
What is the InChIKey of 2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol?
The InChIKey is ZFPHZEZMSCHIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(19)14-11-10-13-6-2-3-7-15(13)18(14)21-17-9-5-4-8-16(17)20/h2-3,6-7,10-12,16-17,20H,4-5,8-9,19H2,1H3.
What are the key properties of 2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol?
2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 60889031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).