N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine

C13H19F2NO — CID 64866431

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO/c1-13(2,3)16-9-8-10-4-6-11(7-5-10)17-12(14)15/h4-7,12,16H,8-9H2,1-3H3
InChIKeySNZKKJRTXRUXJH-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.22
Rot. Bonds5

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine (PubChem CID 64866431) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
PubChem CID64866431
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO/c1-13(2,3)16-9-8-10-4-6-11(7-5-10)17-12(14)15/h4-7,12,16H,8-9H2,1-3H3
InChIKeySNZKKJRTXRUXJH-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
CID 61055180
methyl 4-[4-(difluoromethoxy)phenyl]-2-hydroxy-2-methylbutanoate
CID 55048145
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349335
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 62542388
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
CID 65234748
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanenitrile
CID 43114983

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine (CID 64866431) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is SNZKKJRTXRUXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-13(2,3)16-9-8-10-4-6-11(7-5-10)17-12(14)15/h4-7,12,16H,8-9H2,1-3H3.
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64866431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).