N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride

C23H26ClFN2O — CID 72679892

IUPACN-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
SMILESCC(NCC1COCCN1c1ccc(F)cc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C23H25FN2O.ClH/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)25-15-21-16-27-14-13-26(21)20-11-9-19(24)10-12-20;/h2-12,17,21,25H,13-16H2,1H3;1H
InChIKeyXSSAKJGUHIOJPX-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.96
Rot. Bonds5

About N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride

N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride (PubChem CID 72679892) has the molecular formula C23H26ClFN2O and a molecular weight of 400.93 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
PubChem CID72679892
Molecular FormulaC23H26ClFN2O
Molecular Weight400.93 g/mol
Exact Mass400.17
IUPAC NameN-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
SMILESCC(NCC1COCCN1c1ccc(F)cc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C23H25FN2O.ClH/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)25-15-21-16-27-14-13-26(21)20-11-9-19(24)10-12-20;/h2-12,17,21,25H,13-16H2,1H3;1H
InChIKeyXSSAKJGUHIOJPX-UHFFFAOYSA-N
XLogP4.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;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 N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The IUPAC name of N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride (CID 72679892) is N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride.
What is the SMILES notation for N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The canonical SMILES for N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride is CC(NCC1COCCN1c1ccc(F)cc1)c1cccc2ccccc12.Cl.
What is the InChIKey of N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The InChIKey is XSSAKJGUHIOJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O.ClH/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)25-15-21-16-27-14-13-26(21)20-11-9-19(24)10-12-20;/h2-12,17,21,25H,13-16H2,1H3;1H.
What are the key properties of N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride has a molecular weight of 400.93 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride is sourced from PubChem (CID 72679892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).