(2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine

C17H18FNO — CID 99928005

IUPAC(2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine
SMILESCOc1ccc(F)c(CN2CC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C17H18FNO/c1-20-15-7-8-16(18)14(11-15)12-19-10-9-17(19)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3/t17-/m1/s1
InChIKeyZQQVNNOLONYJMZ-QGZVFWFLSA-N
MW271.34 g/mol
LogP3.78
Rot. Bonds4

About (2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine

(2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine (PubChem CID 99928005) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine.

Molecular Properties

Compound Name(2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine
PubChem CID99928005
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine
SMILESCOc1ccc(F)c(CN2CC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C17H18FNO/c1-20-15-7-8-16(18)14(11-15)12-19-10-9-17(19)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3/t17-/m1/s1
InChIKeyZQQVNNOLONYJMZ-QGZVFWFLSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol
CID 95150098
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
(2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878124
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878125
1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine
CID 56914097
1-[(2-fluoro-5-methoxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124597
2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77097604
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
[(3aR,6aR)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-thiophen-3-ylmethanone
CID 133110505
5-(3-methoxyphenyl)-8-[(2-phenylpyrrolidin-1-yl)methyl]isoquinoline
CID 118916643
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane
CID 112826234

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine?
The IUPAC name of (2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine (CID 99928005) is (2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine.
What is the SMILES notation for (2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine?
The canonical SMILES for (2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine is COc1ccc(F)c(CN2CC[C@@H]2c2ccccc2)c1.
What is the InChIKey of (2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine?
The InChIKey is ZQQVNNOLONYJMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-15-7-8-16(18)14(11-15)12-19-10-9-17(19)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine?
(2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine has a molecular weight of 271.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine is sourced from PubChem (CID 99928005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).