N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine

C12H17F2NO — CID 43177333

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
SMILESCCC(C)NCc1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO/c1-3-9(2)15-8-10-6-4-5-7-11(10)16-12(13)14/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyGZZKFTOZCUVTNF-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.18
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine

N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine (PubChem CID 43177333) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
PubChem CID43177333
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
SMILESCCC(C)NCc1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO/c1-3-9(2)15-8-10-6-4-5-7-11(10)16-12(13)14/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyGZZKFTOZCUVTNF-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-1-ethylsulfonylpropan-2-amine
CID 115626137
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43230665
N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine
CID 116534105
N-[[2-(difluoromethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675802
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225866
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741
1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 60936413
2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
CID 61247131

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine (CID 43177333) is N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine is CCC(C)NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine?
The InChIKey is GZZKFTOZCUVTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-9(2)15-8-10-6-4-5-7-11(10)16-12(13)14/h4-7,9,12,15H,3,8H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 3.18, 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]butan-2-amine is sourced from PubChem (CID 43177333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).