(2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine

C21H25ClFN — CID 142245058

IUPAC(2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine
SMILESCCCCC(c1cccc(F)c1)N1CC[C@H]1Cc1cccc(Cl)c1
InChIInChI=1S/C21H25ClFN/c1-2-3-10-21(17-7-5-9-19(23)15-17)24-12-11-20(24)14-16-6-4-8-18(22)13-16/h4-9,13,15,20-21H,2-3,10-12,14H2,1H3/t20-,21?/m0/s1
InChIKeyDHDSTKDFPBFMMO-BGERDNNASA-N
MW345.89 g/mol
LogP6.03
Rot. Bonds7

About (2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine

(2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine (PubChem CID 142245058) has the molecular formula C21H25ClFN and a molecular weight of 345.89 g/mol. Its IUPAC name is (2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine.

Molecular Properties

Compound Name(2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine
PubChem CID142245058
Molecular FormulaC21H25ClFN
Molecular Weight345.89 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine
SMILESCCCCC(c1cccc(F)c1)N1CC[C@H]1Cc1cccc(Cl)c1
InChIInChI=1S/C21H25ClFN/c1-2-3-10-21(17-7-5-9-19(23)15-17)24-12-11-20(24)14-16-6-4-8-18(22)13-16/h4-9,13,15,20-21H,2-3,10-12,14H2,1H3/t20-,21?/m0/s1
InChIKeyDHDSTKDFPBFMMO-BGERDNNASA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.89
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-[(2S)-1-benzhydrylazetidin-2-yl]-(3-chlorophenyl)methanamine
CID 10150260
(S)-(3-chlorophenyl)-[(2S)-1-[1-(3,5-difluorophenyl)pentyl]azetidin-2-yl]methanamine
CID 10193971
(S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine
CID 10286440
(S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpentyl)azetidin-2-yl]methanamine
CID 44337163
(S)-(3-chlorophenyl)-[(2S)-1-[1-(3-fluorophenyl)pentyl]azetidin-2-yl]methanamine
CID 44337249
(S)-(3-chlorophenyl)-[(2S)-1-(1-phenylbutyl)azetidin-2-yl]methanamine
CID 44337473
(S)-(3-chlorophenyl)-[(2S)-1-(1-phenylhexyl)azetidin-2-yl]methanamine
CID 44337513
4-Benzyl-1-(3-chlorobenzyl)piperidine
CID 785748
(R)-[(2S)-1-[bis(3-chlorophenyl)methyl]azetidin-2-yl]-(3-chlorophenyl)methanamine
CID 44337108
(R)-[(2S)-1-[bis(3-fluorophenyl)methyl]azetidin-2-yl]-(3-chlorophenyl)methanamine
CID 44337123
(R)-(3-chlorophenyl)-[(2S)-1-[1-(3,5-difluorophenyl)pentyl]azetidin-2-yl]methanamine
CID 44337212
(R)-(3-chlorophenyl)-[(2S)-1-[1-(3-fluorophenyl)pentyl]azetidin-2-yl]methanamine
CID 44337229

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine?
The IUPAC name of (2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine (CID 142245058) is (2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine.
What is the SMILES notation for (2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine?
The canonical SMILES for (2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine is CCCCC(c1cccc(F)c1)N1CC[C@H]1Cc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine?
The InChIKey is DHDSTKDFPBFMMO-BGERDNNASA-N. The full InChI is InChI=1S/C21H25ClFN/c1-2-3-10-21(17-7-5-9-19(23)15-17)24-12-11-20(24)14-16-6-4-8-18(22)13-16/h4-9,13,15,20-21H,2-3,10-12,14H2,1H3/t20-,21?/m0/s1.
What are the key properties of (2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine?
(2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine has a molecular weight of 345.89 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chlorophenyl)methyl]-1-[1-(3-fluorophenyl)pentyl]azetidine is sourced from PubChem (CID 142245058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).