4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine

C23H23ClFNO2 — CID 142224477

IUPAC4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine
SMILESCc1ccc(-c2ccc(Cc3ccc(CN4CCOCC4)cc3Cl)o2)cc1F
InChIInChI=1S/C23H23ClFNO2/c1-16-2-4-19(14-22(16)25)23-7-6-20(28-23)13-18-5-3-17(12-21(18)24)15-26-8-10-27-11-9-26/h2-7,12,14H,8-11,13,15H2,1H3
InChIKeyJGPCDIARGHDPJD-UHFFFAOYSA-N
MW399.89 g/mol
LogP5.47
Rot. Bonds5

About 4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine

4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine (PubChem CID 142224477) has the molecular formula C23H23ClFNO2 and a molecular weight of 399.89 g/mol. Its IUPAC name is 4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine
PubChem CID142224477
Molecular FormulaC23H23ClFNO2
Molecular Weight399.89 g/mol
Exact Mass399.14
IUPAC Name4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine
SMILESCc1ccc(-c2ccc(Cc3ccc(CN4CCOCC4)cc3Cl)o2)cc1F
InChIInChI=1S/C23H23ClFNO2/c1-16-2-4-19(14-22(16)25)23-7-6-20(28-23)13-18-5-3-17(12-21(18)24)15-26-8-10-27-11-9-26/h2-7,12,14H,8-11,13,15H2,1H3
InChIKeyJGPCDIARGHDPJD-UHFFFAOYSA-N
XLogP5.47
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.89
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine
CID 142747429
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
2-methyl-5-(1,4-oxazepan-4-ylmethyl)aniline
CID 62972113
1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine
CID 122520466
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
CID 83271462
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
1-ethyl-3-[(3-fluoro-4-methylphenyl)methyl]-2-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111846464
4-[[2-[5-[(2-butoxy-5-chlorophenyl)methyl]furan-2-yl]-3H-benzimidazol-5-yl]methyl]morpholine
CID 71051988
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine (CID 142224477) is 4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine is Cc1ccc(-c2ccc(Cc3ccc(CN4CCOCC4)cc3Cl)o2)cc1F.
What is the InChIKey of 4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine?
The InChIKey is JGPCDIARGHDPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO2/c1-16-2-4-19(14-22(16)25)23-7-6-20(28-23)13-18-5-3-17(12-21(18)24)15-26-8-10-27-11-9-26/h2-7,12,14H,8-11,13,15H2,1H3.
What are the key properties of 4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine?
4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine has a molecular weight of 399.89 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-4-[[5-(3-fluoro-4-methylphenyl)furan-2-yl]methyl]phenyl]methyl]morpholine is sourced from PubChem (CID 142224477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).