N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine

C12H16F3NO — CID 103848215

IUPACN-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C12H16F3NO/c1-12(2,3)16-7-8-4-5-10(9(13)6-8)17-11(14)15/h4-6,11,16H,7H2,1-3H3
InChIKeySNGZOZIERXMMAD-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.32
Rot. Bonds4

About N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine

N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 103848215) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID103848215
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C12H16F3NO/c1-12(2,3)16-7-8-4-5-10(9(13)6-8)17-11(14)15/h4-6,11,16H,7H2,1-3H3
InChIKeySNGZOZIERXMMAD-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891161
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688391
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 107688661
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]propane-1,2-diol
CID 107688548
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688368
N-[(4-ethylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 63806230
methyl (3S)-3-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-3-pyridin-4-ylbutanoate
CID 99788176
methyl 3-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-3-pyridin-4-ylbutanoate
CID 91649941

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine (CID 103848215) is N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SNGZOZIERXMMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-12(2,3)16-7-8-4-5-10(9(13)6-8)17-11(14)15/h4-6,11,16H,7H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 247.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103848215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).