N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine

C12H17F2NO — CID 64866201

IUPACN-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO/c1-9(2)15-8-7-10-5-3-4-6-11(10)16-12(13)14/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyZATSRDXMYHHQLH-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.83
Rot. Bonds6

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

N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine (PubChem CID 64866201) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
PubChem CID64866201
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO/c1-9(2)15-8-7-10-5-3-4-6-11(10)16-12(13)14/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyZATSRDXMYHHQLH-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
CID 61247131
N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine
CID 55209398
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
3-[2-[2-(difluoromethoxy)phenyl]ethylcarbamoylamino]propanoic acid
CID 122011386
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225866
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
CID 64866198
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine (CID 64866201) is N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccccc1OC(F)F.
What is the InChIKey of N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine?
The InChIKey is ZATSRDXMYHHQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-9(2)15-8-7-10-5-3-4-6-11(10)16-12(13)14/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine?
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 64866201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).