N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine

C16H24F2N2O — CID 63300746

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H24F2N2O/c1-3-9-20(14-7-8-19-11-14)12(2)13-5-4-6-15(10-13)21-16(17)18/h4-6,10,12,14,16,19H,3,7-9,11H2,1-2H3
InChIKeyCLRIWLQUZQKHAX-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.42
Rot. Bonds7

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine (PubChem CID 63300746) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
PubChem CID63300746
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H24F2N2O/c1-3-9-20(14-7-8-19-11-14)12(2)13-5-4-6-15(10-13)21-16(17)18/h4-6,10,12,14,16,19H,3,7-9,11H2,1-2H3
InChIKeyCLRIWLQUZQKHAX-UHFFFAOYSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55205536
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300783
N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300570
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912
N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300614
N-[1-(2,5-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300651
N-(3-methyl-1-phenylbutyl)-N-propylpyrrolidin-3-amine
CID 63300659
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine
CID 66183932

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine (CID 63300746) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine is CCCN(C1CCNC1)C(C)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine?
The InChIKey is CLRIWLQUZQKHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-3-9-20(14-7-8-19-11-14)12(2)13-5-4-6-15(10-13)21-16(17)18/h4-6,10,12,14,16,19H,3,7-9,11H2,1-2H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine has a molecular weight of 298.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).