N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine

C15H22F2N2O — CID 63300997

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1ccccc1OC(F)F)C1CCNC1
InChIInChI=1S/C15H22F2N2O/c1-2-9-19(13-7-8-18-10-13)11-12-5-3-4-6-14(12)20-15(16)17/h3-6,13,15,18H,2,7-11H2,1H3
InChIKeyGRFCWVIBSCDIIN-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.86
Rot. Bonds7

About N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine (PubChem CID 63300997) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
PubChem CID63300997
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1ccccc1OC(F)F)C1CCNC1
InChIInChI=1S/C15H22F2N2O/c1-2-9-19(13-7-8-18-10-13)11-12-5-3-4-6-14(12)20-15(16)17/h3-6,13,15,18H,2,7-11H2,1H3
InChIKeyGRFCWVIBSCDIIN-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
CID 66182713
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
2-[cyclopentyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62016633
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62014264
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
CID 54923407
5-fluoro-2-[[propyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
CID 63304215

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine (CID 63300997) is N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1ccccc1OC(F)F)C1CCNC1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is GRFCWVIBSCDIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-2-9-19(13-7-8-18-10-13)11-12-5-3-4-6-14(12)20-15(16)17/h3-6,13,15,18H,2,7-11H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 284.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).