1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine

C15H21F2NO2 — CID 170587319

IUPAC1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine
SMILESCOc1ccc(CN2CC(F)(F)C2)c(OC)c1C(C)C
InChIInChI=1S/C15H21F2NO2/c1-10(2)13-12(19-3)6-5-11(14(13)20-4)7-18-8-15(16,17)9-18/h5-6,10H,7-9H2,1-4H3
InChIKeyVCXPOZXHPKAXOM-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.28
Rot. Bonds5

About 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine

1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine (PubChem CID 170587319) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine
PubChem CID170587319
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine
SMILESCOc1ccc(CN2CC(F)(F)C2)c(OC)c1C(C)C
InChIInChI=1S/C15H21F2NO2/c1-10(2)13-12(19-3)6-5-11(14(13)20-4)7-18-8-15(16,17)9-18/h5-6,10H,7-9H2,1-4H3
InChIKeyVCXPOZXHPKAXOM-UHFFFAOYSA-N
XLogP3.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine
CID 170588217
9-benzyl-2-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 170587596
2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
CID 117320406
N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine
CID 170587356
4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline
CID 177033021
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
2,2,3,3,5,5,6,6-octadeuterio-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 45040630
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine?
The IUPAC name of 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine (CID 170587319) is 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine.
What is the SMILES notation for 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine?
The canonical SMILES for 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine is COc1ccc(CN2CC(F)(F)C2)c(OC)c1C(C)C.
What is the InChIKey of 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine?
The InChIKey is VCXPOZXHPKAXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-10(2)13-12(19-3)6-5-11(14(13)20-4)7-18-8-15(16,17)9-18/h5-6,10H,7-9H2,1-4H3.
What are the key properties of 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine?
1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine has a molecular weight of 285.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine is sourced from PubChem (CID 170587319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).