4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride

C24H27ClFNO — CID 159818767

IUPAC4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride
SMILESC[C@@H](CCC1COCCN1c1cccc(F)c1)c1cccc2ccccc12.Cl
InChIInChI=1S/C24H26FNO.ClH/c1-18(23-11-4-7-19-6-2-3-10-24(19)23)12-13-22-17-27-15-14-26(22)21-9-5-8-20(25)16-21;/h2-11,16,18,22H,12-15,17H2,1H3;1H/t18-,22?;/m0./s1
InChIKeyYQHBUJXJSGMZIU-LPVSMQOSSA-N
MW399.94 g/mol
LogP6.19
Rot. Bonds5

About 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride

4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride (PubChem CID 159818767) has the molecular formula C24H27ClFNO and a molecular weight of 399.94 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride
PubChem CID159818767
Molecular FormulaC24H27ClFNO
Molecular Weight399.94 g/mol
Exact Mass399.18
IUPAC Name4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride
SMILESC[C@@H](CCC1COCCN1c1cccc(F)c1)c1cccc2ccccc12.Cl
InChIInChI=1S/C24H26FNO.ClH/c1-18(23-11-4-7-19-6-2-3-10-24(19)23)12-13-22-17-27-15-14-26(22)21-9-5-8-20(25)16-21;/h2-11,16,18,22H,12-15,17H2,1H3;1H/t18-,22?;/m0./s1
InChIKeyYQHBUJXJSGMZIU-LPVSMQOSSA-N
XLogP6.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.94
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;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 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride?
The IUPAC name of 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride (CID 159818767) is 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride.
What is the SMILES notation for 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride?
The canonical SMILES for 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride is C[C@@H](CCC1COCCN1c1cccc(F)c1)c1cccc2ccccc12.Cl.
What is the InChIKey of 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride?
The InChIKey is YQHBUJXJSGMZIU-LPVSMQOSSA-N. The full InChI is InChI=1S/C24H26FNO.ClH/c1-18(23-11-4-7-19-6-2-3-10-24(19)23)12-13-22-17-27-15-14-26(22)21-9-5-8-20(25)16-21;/h2-11,16,18,22H,12-15,17H2,1H3;1H/t18-,22?;/m0./s1.
What are the key properties of 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride?
4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride has a molecular weight of 399.94 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride is sourced from PubChem (CID 159818767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).