N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine

C14H19F2NO — CID 55209398

IUPACN-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1c1ccccc1OC(F)F
InChIInChI=1S/C14H19F2NO/c1-9(2)17-8-10-7-12(10)11-5-3-4-6-13(11)18-14(15)16/h3-6,9-10,12,14,17H,7-8H2,1-2H3
InChIKeyGPJJTFGVGSQYRV-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.39
Rot. Bonds6

About N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine

N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 55209398) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine
PubChem CID55209398
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1c1ccccc1OC(F)F
InChIInChI=1S/C14H19F2NO/c1-9(2)17-8-10-7-12(10)11-5-3-4-6-13(11)18-14(15)16/h3-6,9-10,12,14,17H,7-8H2,1-2H3
InChIKeyGPJJTFGVGSQYRV-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150374
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81033640
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395
N-[[2-(2,5-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708759
[(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol
CID 10632110
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-2-amine
CID 63208003
N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708919
N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81027950
N-[[2-(2,4-dichlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708576
N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine
CID 82791684

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine (CID 55209398) is N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine is CC(C)NCC1CC1c1ccccc1OC(F)F.
What is the InChIKey of N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is GPJJTFGVGSQYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(2)17-8-10-7-12(10)11-5-3-4-6-13(11)18-14(15)16/h3-6,9-10,12,14,17H,7-8H2,1-2H3.
What are the key properties of N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine?
N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 255.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 55209398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).