N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine

C17H25F2NO — CID 115847444

IUPACN-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1ccccc1OC(F)F
InChIInChI=1S/C17H25F2NO/c1-2-11-20-15(12-13-7-3-4-8-13)14-9-5-6-10-16(14)21-17(18)19/h5-6,9-10,13,15,17,20H,2-4,7-8,11-12H2,1H3
InChIKeyARYFWCANLCJJIY-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.91
Rot. Bonds8

About N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine

N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 115847444) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
PubChem CID115847444
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1ccccc1OC(F)F
InChIInChI=1S/C17H25F2NO/c1-2-11-20-15(12-13-7-3-4-8-13)14-9-5-6-10-16(14)21-17(18)19/h5-6,9-10,13,15,17,20H,2-4,7-8,11-12H2,1H3
InChIKeyARYFWCANLCJJIY-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
1-[2-(difluoromethoxy)phenyl]-N-propylbut-3-yn-1-amine
CID 114977832
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477
[1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethyl]hydrazine
CID 105298760
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine (CID 115847444) is N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine is CCCNC(CC1CCCC1)c1ccccc1OC(F)F.
What is the InChIKey of N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is ARYFWCANLCJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-2-11-20-15(12-13-7-3-4-8-13)14-9-5-6-10-16(14)21-17(18)19/h5-6,9-10,13,15,17,20H,2-4,7-8,11-12H2,1H3.
What are the key properties of N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine?
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115847444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).