(3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride

C18H30Cl2FN3O — CID 68979967

IUPAC(3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride
SMILESCl.Cl.NCC[C@@H](CCN1CC(N2CCOCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H28FN3O.2ClH/c19-17-3-1-15(2-4-17)16(5-7-20)6-8-21-13-18(14-21)22-9-11-23-12-10-22;;/h1-4,16,18H,5-14,20H2;2*1H/t16-;;/m0../s1
InChIKeyNADMNXBLAZSISU-SQKCAUCHSA-N
MW394.36 g/mol
LogP2.51
Rot. Bonds7

About (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride

(3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride (PubChem CID 68979967) has the molecular formula C18H30Cl2FN3O and a molecular weight of 394.36 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride
PubChem CID68979967
Molecular FormulaC18H30Cl2FN3O
Molecular Weight394.36 g/mol
Exact Mass393.17
IUPAC Name(3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride
SMILESCl.Cl.NCC[C@@H](CCN1CC(N2CCOCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H28FN3O.2ClH/c19-17-3-1-15(2-4-17)16(5-7-20)6-8-21-13-18(14-21)22-9-11-23-12-10-22;;/h1-4,16,18H,5-14,20H2;2*1H/t16-;;/m0../s1
InChIKeyNADMNXBLAZSISU-SQKCAUCHSA-N
XLogP2.51
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride 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 (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride?
The IUPAC name of (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride (CID 68979967) is (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride is Cl.Cl.NCC[C@@H](CCN1CC(N2CCOCC2)C1)c1ccc(F)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride?
The InChIKey is NADMNXBLAZSISU-SQKCAUCHSA-N. The full InChI is InChI=1S/C18H28FN3O.2ClH/c19-17-3-1-15(2-4-17)16(5-7-20)6-8-21-13-18(14-21)22-9-11-23-12-10-22;;/h1-4,16,18H,5-14,20H2;2*1H/t16-;;/m0../s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride?
(3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride has a molecular weight of 394.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-5-(3-morpholin-4-ylazetidin-1-yl)pentan-1-amine;dihydrochloride is sourced from PubChem (CID 68979967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).