3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol

C12H16FNO2 — CID 102876481

IUPAC3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
SMILESCOc1ccc(CNC2CC(O)C2)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-16-11-3-2-8(12(13)6-11)7-14-9-4-10(15)5-9/h2-3,6,9-10,14-15H,4-5,7H2,1H3
InChIKeySUDXZRKYXHGZFQ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.45
Rot. Bonds4

About 3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol

3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol (PubChem CID 102876481) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
PubChem CID102876481
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
SMILESCOc1ccc(CNC2CC(O)C2)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-16-11-3-2-8(12(13)6-11)7-14-9-4-10(15)5-9/h2-3,6,9-10,14-15H,4-5,7H2,1H3
InChIKeySUDXZRKYXHGZFQ-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412
(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29257290
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876471
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxybutan-1-amine
CID 114163014
5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol (CID 102876481) is 3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol is COc1ccc(CNC2CC(O)C2)c(F)c1.
What is the InChIKey of 3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol?
The InChIKey is SUDXZRKYXHGZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-11-3-2-8(12(13)6-11)7-14-9-4-10(15)5-9/h2-3,6,9-10,14-15H,4-5,7H2,1H3.
What are the key properties of 3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol?
3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol has a molecular weight of 225.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 102876481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).