N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine

C14H19F2NO — CID 43200712

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
SMILESCC(NC1CCCC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2NO/c1-10(17-12-6-2-3-7-12)11-5-4-8-13(9-11)18-14(15)16/h4-5,8-10,12,14,17H,2-3,6-7H2,1H3
InChIKeyXOXNTEMVVBYDOU-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.88
Rot. Bonds5

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

N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine (PubChem CID 43200712) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
PubChem CID43200712
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
SMILESCC(NC1CCCC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2NO/c1-10(17-12-6-2-3-7-12)11-5-4-8-13(9-11)18-14(15)16/h4-5,8-10,12,14,17H,2-3,6-7H2,1H3
InChIKeyXOXNTEMVVBYDOU-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine
CID 79458545
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786631
[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]cyclopentyl]methanol
CID 103786076
(4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one
CID 97102179
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
(1S)-1-[3-(difluoromethoxy)phenyl]-N-[(1,1-dioxothian-4-yl)methyl]ethanamine
CID 97108387
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106661841
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83007352
[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine
CID 105330629
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine (CID 43200712) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine is CC(NC1CCCC1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine?
The InChIKey is XOXNTEMVVBYDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(17-12-6-2-3-7-12)11-5-4-8-13(9-11)18-14(15)16/h4-5,8-10,12,14,17H,2-3,6-7H2,1H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine has a molecular weight of 255.31 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine is sourced from PubChem (CID 43200712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).