N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine

C14H17F2NO — CID 113262690

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
SMILESCC(NC1CC=CC1)c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2NO/c1-10(17-11-6-2-3-7-11)12-8-4-5-9-13(12)18-14(15)16/h2-5,8-11,14,17H,6-7H2,1H3
InChIKeyMMNCYGPPQPHBSQ-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.66
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine (PubChem CID 113262690) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
PubChem CID113262690
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
SMILESCC(NC1CC=CC1)c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2NO/c1-10(17-11-6-2-3-7-11)12-8-4-5-9-13(12)18-14(15)16/h2-5,8-11,14,17H,6-7H2,1H3
InChIKeyMMNCYGPPQPHBSQ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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]-1-methylpiperidin-4-amine
CID 43373385
3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
CID 79461771
N-[1-[2-(difluoromethoxy)phenyl]ethyl]thian-3-amine
CID 55129593
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5,5-dimethylthian-3-amine
CID 79953641
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935
N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
CID 103439093
(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]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715882
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364151
N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83006799

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine (CID 113262690) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine is CC(NC1CC=CC1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine?
The InChIKey is MMNCYGPPQPHBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10(17-11-6-2-3-7-11)12-8-4-5-9-13(12)18-14(15)16/h2-5,8-11,14,17H,6-7H2,1H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine has a molecular weight of 253.29 g/mol, XLogP of 3.66, 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]cyclopent-3-en-1-amine is sourced from PubChem (CID 113262690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).