3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine

C14H20F2N2O — CID 79461771

IUPAC3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
SMILESCC(NC1CCC(N)C1)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O/c1-9(18-11-7-6-10(17)8-11)12-4-2-3-5-13(12)19-14(15)16/h2-5,9-11,14,18H,6-8,17H2,1H3
InChIKeyVJBUCDCALSRLSU-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.82
Rot. Bonds5

About 3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine

3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine (PubChem CID 79461771) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
PubChem CID79461771
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
SMILESCC(NC1CCC(N)C1)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O/c1-9(18-11-7-6-10(17)8-11)12-4-2-3-5-13(12)19-14(15)16/h2-5,9-11,14,18H,6-8,17H2,1H3
InChIKeyVJBUCDCALSRLSU-UHFFFAOYSA-N
XLogP2.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751364
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-propan-2-yloxyphenyl)ethyl]cyclopropanamine
CID 103439093
N-[1-[2-(difluoromethoxy)phenyl]ethyl]thian-3-amine
CID 55129593
4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 43612843
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757
3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 81348443
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715882
(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
CID 81390973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860740
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5,5-dimethylthian-3-amine
CID 79953641

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine (CID 79461771) is 3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine is CC(NC1CCC(N)C1)c1ccccc1OC(F)F.
What is the InChIKey of 3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine?
The InChIKey is VJBUCDCALSRLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(18-11-7-6-10(17)8-11)12-4-2-3-5-13(12)19-14(15)16/h2-5,9-11,14,18H,6-8,17H2,1H3.
What are the key properties of 3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine?
3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine has a molecular weight of 270.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79461771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).