N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine

C14H19ClFNO — CID 82727453

IUPACN-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
SMILESFc1cc(OCCCNC2CCCC2)ccc1Cl
InChIInChI=1S/C14H19ClFNO/c15-13-7-6-12(10-14(13)16)18-9-3-8-17-11-4-1-2-5-11/h6-7,10-11,17H,1-5,8-9H2
InChIKeyVADWKVMSLDPHCR-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.78
Rot. Bonds6

About N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine

N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine (PubChem CID 82727453) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
PubChem CID82727453
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
SMILESFc1cc(OCCCNC2CCCC2)ccc1Cl
InChIInChI=1S/C14H19ClFNO/c15-13-7-6-12(10-14(13)16)18-9-3-8-17-11-4-1-2-5-11/h6-7,10-11,17H,1-5,8-9H2
InChIKeyVADWKVMSLDPHCR-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 82726781
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-[3-(2-chloro-4-fluorophenoxy)propyl]cyclopentanamine
CID 62598567
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine?
The IUPAC name of N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine (CID 82727453) is N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine is Fc1cc(OCCCNC2CCCC2)ccc1Cl.
What is the InChIKey of N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine?
The InChIKey is VADWKVMSLDPHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-13-7-6-12(10-14(13)16)18-9-3-8-17-11-4-1-2-5-11/h6-7,10-11,17H,1-5,8-9H2.
What are the key properties of N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine?
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine has a molecular weight of 271.76 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine is sourced from PubChem (CID 82727453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).