N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine

C14H17F2NO — CID 79340533

IUPACN-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine
SMILESCC(=Cc1ccccc1OC(F)F)CNC1CC1
InChIInChI=1S/C14H17F2NO/c1-10(9-17-12-6-7-12)8-11-4-2-3-5-13(11)18-14(15)16/h2-5,8,12,14,17H,6-7,9H2,1H3
InChIKeyBWWUEHUXQIHZLN-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.44
Rot. Bonds6

About N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine

N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine (PubChem CID 79340533) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine
PubChem CID79340533
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC NameN-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine
SMILESCC(=Cc1ccccc1OC(F)F)CNC1CC1
InChIInChI=1S/C14H17F2NO/c1-10(9-17-12-6-7-12)8-11-4-2-3-5-13(11)18-14(15)16/h2-5,8,12,14,17H,6-7,9H2,1H3
InChIKeyBWWUEHUXQIHZLN-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal
CID 79330784
(E)-4-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-2-amine
CID 103091905
N-cyclopropyl-N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide
CID 9352177
1-[2-(chloromethyl)but-1-enyl]-2-(difluoromethoxy)benzene
CID 79334225
3-[2-(difluoromethoxy)-3-methoxyphenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340405
N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79330119
N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340534
1-(3-bromo-2-methylprop-1-enyl)-2-propan-2-yloxybenzene
CID 79324011
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
CID 119107841
(Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
CID 6598140
1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 119108245

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine (CID 79340533) is N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine is CC(=Cc1ccccc1OC(F)F)CNC1CC1.
What is the InChIKey of N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine?
The InChIKey is BWWUEHUXQIHZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10(9-17-12-6-7-12)8-11-4-2-3-5-13(11)18-14(15)16/h2-5,8,12,14,17H,6-7,9H2,1H3.
What are the key properties of N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine?
N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine has a molecular weight of 253.29 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79340533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).