N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide

C15H20F2N2O2 — CID 115706371

IUPACN-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H20F2N2O2/c1-10(18-7-8-19-14(20)11-5-6-11)12-3-2-4-13(9-12)21-15(16)17/h2-4,9-11,15,18H,5-8H2,1H3,(H,19,20)
InChIKeyAKRPMHUYXCXELR-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.46
Rot. Bonds8

About N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115706371) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
PubChem CID115706371
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H20F2N2O2/c1-10(18-7-8-19-14(20)11-5-6-11)12-3-2-4-13(9-12)21-15(16)17/h2-4,9-11,15,18H,5-8H2,1H3,(H,19,20)
InChIKeyAKRPMHUYXCXELR-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113246946
N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115905342
N-[2-(cyclopropylmethoxy)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 103782765
N-[2-[1-(3-nitrophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115574213
1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203420
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
(1S)-1-[3-(difluoromethoxy)phenyl]-N-[(1,1-dioxothian-4-yl)methyl]ethanamine
CID 97108387
1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894084
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide (CID 115706371) is N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide is CC(NCCNC(=O)C1CC1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is AKRPMHUYXCXELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(18-7-8-19-14(20)11-5-6-11)12-3-2-4-13(9-12)21-15(16)17/h2-4,9-11,15,18H,5-8H2,1H3,(H,19,20).
What are the key properties of N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115706371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).