N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine

C15H23F2NO2 — CID 61169297

IUPACN-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
SMILESCCCCOCCNC(C)c1ccccc1OC(F)F
InChIInChI=1S/C15H23F2NO2/c1-3-4-10-19-11-9-18-12(2)13-7-5-6-8-14(13)20-15(16)17/h5-8,12,15,18H,3-4,9-11H2,1-2H3
InChIKeyGCZOCBSOQFRIHQ-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.76
Rot. Bonds10

About N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine

N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine (PubChem CID 61169297) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
PubChem CID61169297
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
SMILESCCCCOCCNC(C)c1ccccc1OC(F)F
InChIInChI=1S/C15H23F2NO2/c1-3-4-10-19-11-9-18-12(2)13-7-5-6-8-14(13)20-15(16)17/h5-8,12,15,18H,3-4,9-11H2,1-2H3
InChIKeyGCZOCBSOQFRIHQ-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 106840787
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutan-1-amine
CID 115721477
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 60863199
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine (CID 61169297) is N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine is CCCCOCCNC(C)c1ccccc1OC(F)F.
What is the InChIKey of N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is GCZOCBSOQFRIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-3-4-10-19-11-9-18-12(2)13-7-5-6-8-14(13)20-15(16)17/h5-8,12,15,18H,3-4,9-11H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine?
N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 287.35 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 61169297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).