N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine

C17H27F2NO — CID 29272296

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NCc1ccccc1OC(F)F
InChIInChI=1S/C17H27F2NO/c1-12(2)9-15(10-13(3)4)20-11-14-7-5-6-8-16(14)21-17(18)19/h5-8,12-13,15,17,20H,9-11H2,1-4H3
InChIKeyOSPMUJUFDMNXEX-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.84
Rot. Bonds9

About N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine (PubChem CID 29272296) has the molecular formula C17H27F2NO and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
PubChem CID29272296
Molecular FormulaC17H27F2NO
Molecular Weight299.40 g/mol
Exact Mass299.21
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NCc1ccccc1OC(F)F
InChIInChI=1S/C17H27F2NO/c1-12(2)9-15(10-13(3)4)20-11-14-7-5-6-8-16(14)21-17(18)19/h5-8,12-13,15,17,20H,9-11H2,1-4H3
InChIKeyOSPMUJUFDMNXEX-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
CID 61247131
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
N-[[2-(difluoromethoxy)phenyl]methyl]-1-ethylsulfonylpropan-2-amine
CID 115626137
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225866
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43098513
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine (CID 29272296) is N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine?
The InChIKey is OSPMUJUFDMNXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2NO/c1-12(2)9-15(10-13(3)4)20-11-14-7-5-6-8-16(14)21-17(18)19/h5-8,12-13,15,17,20H,9-11H2,1-4H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine has a molecular weight of 299.40 g/mol, XLogP of 4.84, 9 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]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 29272296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).