2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine

C14H19F2NO — CID 115592704

IUPAC2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCC(CNCc1ccccc1OC(F)F)C1CC1
InChIInChI=1S/C14H19F2NO/c1-10(11-6-7-11)8-17-9-12-4-2-3-5-13(12)18-14(15)16/h2-5,10-11,14,17H,6-9H2,1H3
InChIKeyYBDZPQAWGIOPGT-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.42
Rot. Bonds7

About 2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine

2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 115592704) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID115592704
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCC(CNCc1ccccc1OC(F)F)C1CC1
InChIInChI=1S/C14H19F2NO/c1-10(11-6-7-11)8-17-9-12-4-2-3-5-13(12)18-14(15)16/h2-5,10-11,14,17H,6-9H2,1H3
InChIKeyYBDZPQAWGIOPGT-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115763988
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
CID 115655473
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560901
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855904
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine
CID 115592592

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine (CID 115592704) is 2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine is CC(CNCc1ccccc1OC(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is YBDZPQAWGIOPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(11-6-7-11)8-17-9-12-4-2-3-5-13(12)18-14(15)16/h2-5,10-11,14,17H,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine?
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115592704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).