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

C24H22ClNO — CID 16735075

IUPAC2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)c1ccc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C24H21NO.ClH/c25-17-23(18-9-3-1-4-10-18)21-15-16-24(22-14-8-7-13-20(21)22)26-19-11-5-2-6-12-19;/h1-16,23H,17,25H2;1H
InChIKeyQRXWCYYCRSGUGS-UHFFFAOYSA-N
MW375.90 g/mol
LogP6.14
Rot. Bonds5

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

2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride (PubChem CID 16735075) has the molecular formula C24H22ClNO and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride
PubChem CID16735075
Molecular FormulaC24H22ClNO
Molecular Weight375.90 g/mol
Exact Mass375.14
IUPAC Name2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)c1ccc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C24H21NO.ClH/c25-17-23(18-9-3-1-4-10-18)21-15-16-24(22-14-8-7-13-20(21)22)26-19-11-5-2-6-12-19;/h1-16,23H,17,25H2;1H
InChIKeyQRXWCYYCRSGUGS-UHFFFAOYSA-N
XLogP6.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride?
The IUPAC name of 2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride (CID 16735075) is 2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride is Cl.NCC(c1ccccc1)c1ccc(Oc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride?
The InChIKey is QRXWCYYCRSGUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO.ClH/c25-17-23(18-9-3-1-4-10-18)21-15-16-24(22-14-8-7-13-20(21)22)26-19-11-5-2-6-12-19;/h1-16,23H,17,25H2;1H.
What are the key properties of 2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride?
2-(4-phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 6.14, 5 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)-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 16735075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).