1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine

C15H24F2N2O — CID 43294708

IUPAC1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1ccccc1OC(F)F
InChIInChI=1S/C15H24F2N2O/c1-3-4-7-10-19(2)13(11-18)12-8-5-6-9-14(12)20-15(16)17/h5-6,8-9,13,15H,3-4,7,10-11,18H2,1-2H3
InChIKeyVYAXBOJUMOXIEI-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.41
Rot. Bonds9

About 1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine

1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine (PubChem CID 43294708) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine
PubChem CID43294708
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1ccccc1OC(F)F
InChIInChI=1S/C15H24F2N2O/c1-3-4-7-10-19(2)13(11-18)12-8-5-6-9-14(12)20-15(16)17/h5-6,8-9,13,15H,3-4,7,10-11,18H2,1-2H3
InChIKeyVYAXBOJUMOXIEI-UHFFFAOYSA-N
XLogP3.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.41
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

N-methyl-N-pentyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 43294611
1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
CID 43268646
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693386
N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 82043559
N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 43540885
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
1-[2-(difluoromethoxy)phenyl]hexylhydrazine
CID 105294561
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
1-(5-bromo-2-methoxyphenyl)-N-butyl-N-methylethane-1,2-diamine
CID 43141158

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine (CID 43294708) is 1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine is CCCCCN(C)C(CN)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine?
The InChIKey is VYAXBOJUMOXIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-3-4-7-10-19(2)13(11-18)12-8-5-6-9-14(12)20-15(16)17/h5-6,8-9,13,15H,3-4,7,10-11,18H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine?
1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine has a molecular weight of 286.37 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine is sourced from PubChem (CID 43294708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).