2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride

C18H18ClNO — CID 164623933

IUPAC2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride
SMILESCl.NC(COc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H17NO.ClH/c19-18(15-7-2-1-3-8-15)13-20-17-11-10-14-6-4-5-9-16(14)12-17;/h1-12,18H,13,19H2;1H
InChIKeyQIAHZXJXHHASQF-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.34
Rot. Bonds4

About 2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride

2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride (PubChem CID 164623933) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride
PubChem CID164623933
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride
SMILESCl.NC(COc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H17NO.ClH/c19-18(15-7-2-1-3-8-15)13-20-17-11-10-14-6-4-5-9-16(14)12-17;/h1-12,18H,13,19H2;1H
InChIKeyQIAHZXJXHHASQF-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride (CID 164623933) is 2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride is Cl.NC(COc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride?
The InChIKey is QIAHZXJXHHASQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO.ClH/c19-18(15-7-2-1-3-8-15)13-20-17-11-10-14-6-4-5-9-16(14)12-17;/h1-12,18H,13,19H2;1H.
What are the key properties of 2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride?
2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 164623933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).