N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine

C15H23F2NO2 — CID 59028589

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine
SMILESCOCCN(Cc1cccc(OC(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H23F2NO2/c1-15(2,3)18(8-9-19-4)11-12-6-5-7-13(10-12)20-14(16)17/h5-7,10,14H,8-9,11H2,1-4H3
InChIKeyNKNMHFVXPUIRJG-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.53
Rot. Bonds7

About N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine

N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine (PubChem CID 59028589) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine
PubChem CID59028589
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine
SMILESCOCCN(Cc1cccc(OC(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H23F2NO2/c1-15(2,3)18(8-9-19-4)11-12-6-5-7-13(10-12)20-14(16)17/h5-7,10,14H,8-9,11H2,1-4H3
InChIKeyNKNMHFVXPUIRJG-UHFFFAOYSA-N
XLogP3.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(difluoromethoxy)phenyl]methanol
CID 2736994
2-[[3-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 119134927
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
phenyl 2-[[3-(difluoromethoxy)phenyl]methyl-methylamino]ethanesulfonate
CID 47551164
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene
CID 145445557
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine
CID 97057965
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
2-[3-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 111334767

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine (CID 59028589) is N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine is COCCN(Cc1cccc(OC(F)F)c1)C(C)(C)C.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine?
The InChIKey is NKNMHFVXPUIRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-15(2,3)18(8-9-19-4)11-12-6-5-7-13(10-12)20-14(16)17/h5-7,10,14H,8-9,11H2,1-4H3.
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine?
N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine has a molecular weight of 287.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 59028589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).