N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine

C15H21F2NO — CID 103560901

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(NCc2ccccc2OC(F)F)C1
InChIInChI=1S/C15H21F2NO/c1-10(2)12-7-13(8-12)18-9-11-5-3-4-6-14(11)19-15(16)17/h3-6,10,12-13,15,18H,7-9H2,1-2H3
InChIKeyFNMWWJOPLGTZCV-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.81
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103560901) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103560901
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(NCc2ccccc2OC(F)F)C1
InChIInChI=1S/C15H21F2NO/c1-10(2)12-7-13(8-12)18-9-11-5-3-4-6-14(11)19-15(16)17/h3-6,10,12-13,15,18H,7-9H2,1-2H3
InChIKeyFNMWWJOPLGTZCV-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylthiolan-3-amine
CID 79942525
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 63277687
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
N-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728521
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine (CID 103560901) is N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine is CC(C)C1CC(NCc2ccccc2OC(F)F)C1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is FNMWWJOPLGTZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(2)12-7-13(8-12)18-9-11-5-3-4-6-14(11)19-15(16)17/h3-6,10,12-13,15,18H,7-9H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103560901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).