1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine

C14H19F2NO — CID 117391359

IUPAC1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
SMILESCOc1c(C(C)(F)F)cc(C)cc1C1(N)CCC1
InChIInChI=1S/C14H19F2NO/c1-9-7-10(13(2,15)16)12(18-3)11(8-9)14(17)5-4-6-14/h7-8H,4-6,17H2,1-3H3
InChIKeyJGBVTZFOGKHVQD-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.45
Rot. Bonds3

About 1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine

1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine (PubChem CID 117391359) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
PubChem CID117391359
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
SMILESCOc1c(C(C)(F)F)cc(C)cc1C1(N)CCC1
InChIInChI=1S/C14H19F2NO/c1-9-7-10(13(2,15)16)12(18-3)11(8-9)14(17)5-4-6-14/h7-8H,4-6,17H2,1-3H3
InChIKeyJGBVTZFOGKHVQD-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
CID 117355108
2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]propan-2-amine
CID 117359983
1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117470953
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 117494647
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117403471
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]-2-methylpropan-2-amine
CID 117396642
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
CID 117408617
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828
3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol
CID 117444880
2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol
CID 117408744

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine?
The IUPAC name of 1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine (CID 117391359) is 1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine is COc1c(C(C)(F)F)cc(C)cc1C1(N)CCC1.
What is the InChIKey of 1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine?
The InChIKey is JGBVTZFOGKHVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9-7-10(13(2,15)16)12(18-3)11(8-9)14(17)5-4-6-14/h7-8H,4-6,17H2,1-3H3.
What are the key properties of 1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine?
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine is sourced from PubChem (CID 117391359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).