N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine

C14H19F2NO — CID 82006736

IUPACN-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
SMILESCc1cccc(C(CNC2CC2)OCC(F)F)c1
InChIInChI=1S/C14H19F2NO/c1-10-3-2-4-11(7-10)13(18-9-14(15)16)8-17-12-5-6-12/h2-4,7,12-14,17H,5-6,8-9H2,1H3
InChIKeyNUIXZUPODDBLAZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine

N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine (PubChem CID 82006736) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
PubChem CID82006736
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
SMILESCc1cccc(C(CNC2CC2)OCC(F)F)c1
InChIInChI=1S/C14H19F2NO/c1-10-3-2-4-11(7-10)13(18-9-14(15)16)8-17-12-5-6-12/h2-4,7,12-14,17H,5-6,8-9H2,1H3
InChIKeyNUIXZUPODDBLAZ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 82006484
N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 82005990
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 106930859
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
2-(cyclopropylmethoxy)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62106439
N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
CID 62106068
N-[3-(2-fluorophenyl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 79422729
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115
N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 103138764
N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 66321628
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine (CID 82006736) is N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine is Cc1cccc(C(CNC2CC2)OCC(F)F)c1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine?
The InChIKey is NUIXZUPODDBLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10-3-2-4-11(7-10)13(18-9-14(15)16)8-17-12-5-6-12/h2-4,7,12-14,17H,5-6,8-9H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine?
N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine has a molecular weight of 255.31 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 82006736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).