2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride

C18H18ClNO — CID 16736132

IUPAC2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C18H17NO.ClH/c19-13-12-14-10-11-18(17-9-5-4-8-16(14)17)20-15-6-2-1-3-7-15;/h1-11H,12-13,19H2;1H
InChIKeyZPTHAVAISLYUGA-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.56
Rot. Bonds4

About 2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride

2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride (PubChem CID 16736132) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride
PubChem CID16736132
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C18H17NO.ClH/c19-13-12-14-10-11-18(17-9-5-4-8-16(14)17)20-15-6-2-1-3-7-15;/h1-11H,12-13,19H2;1H
InChIKeyZPTHAVAISLYUGA-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride (CID 16736132) is 2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride is Cl.NCCc1ccc(Oc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride?
The InChIKey is ZPTHAVAISLYUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO.ClH/c19-13-12-14-10-11-18(17-9-5-4-8-16(14)17)20-15-6-2-1-3-7-15;/h1-11H,12-13,19H2;1H.
What are the key properties of 2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride?
2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxynaphthalen-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 16736132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).