1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine

C12H15F2NO — CID 105484517

IUPAC1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(C(F)(F)C2(N)CCC2)cc1
InChIInChI=1S/C12H15F2NO/c1-16-10-5-3-9(4-6-10)12(13,14)11(15)7-2-8-11/h3-6H,2,7-8,15H2,1H3
InChIKeyAKTMDIACUPFLTQ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.67
Rot. Bonds3

About 1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine

1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 105484517) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID105484517
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(C(F)(F)C2(N)CCC2)cc1
InChIInChI=1S/C12H15F2NO/c1-16-10-5-3-9(4-6-10)12(13,14)11(15)7-2-8-11/h3-6H,2,7-8,15H2,1H3
InChIKeyAKTMDIACUPFLTQ-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
1-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257119
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
3,3-difluoro-3-(4-methoxyphenyl)propanal
CID 105452631
(2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine
CID 102100873
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 164523179
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 175254139
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine (CID 105484517) is 1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine is COc1ccc(C(F)(F)C2(N)CCC2)cc1.
What is the InChIKey of 1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is AKTMDIACUPFLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-10-5-3-9(4-6-10)12(13,14)11(15)7-2-8-11/h3-6H,2,7-8,15H2,1H3.
What are the key properties of 1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine?
1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 227.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-methoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 105484517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).