4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine

C14H21F2NO — CID 116839527

IUPAC4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine
SMILESCOc1cc(C)c(C(F)(F)CC(C)(C)N)cc1C
InChIInChI=1S/C14H21F2NO/c1-9-7-12(18-5)10(2)6-11(9)14(15,16)8-13(3,4)17/h6-7H,8,17H2,1-5H3
InChIKeyFDTPLDKSDZDPCV-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.53
Rot. Bonds4

About 4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine

4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine (PubChem CID 116839527) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine
PubChem CID116839527
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine
SMILESCOc1cc(C)c(C(F)(F)CC(C)(C)N)cc1C
InChIInChI=1S/C14H21F2NO/c1-9-7-12(18-5)10(2)6-11(9)14(15,16)8-13(3,4)17/h6-7H,8,17H2,1-5H3
InChIKeyFDTPLDKSDZDPCV-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 116839392
3,3-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanenitrile
CID 116840715
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
4-(3,4-dimethylphenyl)-4,4-difluoro-2-methylbutan-2-amine
CID 116839496
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
3-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-one
CID 82286345
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 82287187
3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine
CID 116838545
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-ol
CID 114228362

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine?
The IUPAC name of 4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine (CID 116839527) is 4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine.
What is the SMILES notation for 4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine?
The canonical SMILES for 4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine is COc1cc(C)c(C(F)(F)CC(C)(C)N)cc1C.
What is the InChIKey of 4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine?
The InChIKey is FDTPLDKSDZDPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-9-7-12(18-5)10(2)6-11(9)14(15,16)8-13(3,4)17/h6-7H,8,17H2,1-5H3.
What are the key properties of 4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine?
4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine is sourced from PubChem (CID 116839527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).