N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine

C16H23F2NO — CID 79860740

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC(NC1CCCC1(C)C)c1ccccc1OC(F)F
InChIInChI=1S/C16H23F2NO/c1-11(19-14-9-6-10-16(14,2)3)12-7-4-5-8-13(12)20-15(17)18/h4-5,7-8,11,14-15,19H,6,9-10H2,1-3H3
InChIKeyIAUPEOOHKZJDCA-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.52
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79860740) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79860740
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC(NC1CCCC1(C)C)c1ccccc1OC(F)F
InChIInChI=1S/C16H23F2NO/c1-11(19-14-9-6-10-16(14,2)3)12-7-4-5-8-13(12)20-15(17)18/h4-5,7-8,11,14-15,19H,6,9-10H2,1-3H3
InChIKeyIAUPEOOHKZJDCA-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 81379211
N-[1-[2-(difluoromethoxy)phenyl]ethyl]thian-3-amine
CID 55129593
N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
CID 113262690
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
CID 43373385
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751364
2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol
CID 79862137
3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
CID 79461771
N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79862054
(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
CID 81390973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5,5-dimethylthian-3-amine
CID 79953641
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210355
[1-[[1-[2-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopropyl]methanol
CID 81344008

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine (CID 79860740) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine is CC(NC1CCCC1(C)C)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is IAUPEOOHKZJDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-11(19-14-9-6-10-16(14,2)3)12-7-4-5-8-13(12)20-15(17)18/h4-5,7-8,11,14-15,19H,6,9-10H2,1-3H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79860740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).