1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine

C15H21F2NO2 — CID 115894084

IUPAC1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H21F2NO2/c1-11(2)10-19-8-7-18-12(3)13-5-4-6-14(9-13)20-15(16)17/h4-6,9,12,15,18H,1,7-8,10H2,2-3H3
InChIKeyFHSSOGOKQNUVFU-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.53
Rot. Bonds9

About 1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine

1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (PubChem CID 115894084) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
PubChem CID115894084
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H21F2NO2/c1-11(2)10-19-8-7-18-12(3)13-5-4-6-14(9-13)20-15(16)17/h4-6,9,12,15,18H,1,7-8,10H2,2-3H3
InChIKeyFHSSOGOKQNUVFU-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
N-[2-(cyclopropylmethoxy)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 103782765
N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
CID 115894064
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115894123

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (CID 115894084) is 1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is C=C(C)COCCNC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The InChIKey is FHSSOGOKQNUVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-11(2)10-19-8-7-18-12(3)13-5-4-6-14(9-13)20-15(16)17/h4-6,9,12,15,18H,1,7-8,10H2,2-3H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is sourced from PubChem (CID 115894084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).