1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine

C15H23F2NO — CID 115837696

IUPAC1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1ccccc1OC(F)F
InChIInChI=1S/C15H23F2NO/c1-3-5-6-10-13(18-4-2)12-9-7-8-11-14(12)19-15(16)17/h7-9,11,13,15,18H,3-6,10H2,1-2H3
InChIKeyJNJSMYHNXMGQHG-UHFFFAOYSA-N
MW271.35 g/mol
LogP4.52
Rot. Bonds9

About 1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine

1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine (PubChem CID 115837696) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
PubChem CID115837696
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1ccccc1OC(F)F
InChIInChI=1S/C15H23F2NO/c1-3-5-6-10-13(18-4-2)12-9-7-8-11-14(12)19-15(16)17/h7-9,11,13,15,18H,3-6,10H2,1-2H3
InChIKeyJNJSMYHNXMGQHG-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
1-[2-(difluoromethoxy)phenyl]hexylhydrazine
CID 105294561
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
CID 105008215
N-ethyl-1-(2-iodophenyl)decan-1-amine
CID 115831642
N-ethyl-4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 65092523
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
CID 61078567
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine (CID 115837696) is 1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine is CCCCCC(NCC)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine?
The InChIKey is JNJSMYHNXMGQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-3-5-6-10-13(18-4-2)12-9-7-8-11-14(12)19-15(16)17/h7-9,11,13,15,18H,3-6,10H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine?
1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine is sourced from PubChem (CID 115837696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).