N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine

C15H21F2NO — CID 63273078

IUPACN-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
SMILESFc1ccc(F)c(OCCCNC2CCCCC2)c1
InChIInChI=1S/C15H21F2NO/c16-12-7-8-14(17)15(11-12)19-10-4-9-18-13-5-2-1-3-6-13/h7-8,11,13,18H,1-6,9-10H2
InChIKeyZTFNNNWOSQKJMT-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.66
Rot. Bonds6

About N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine

N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine (PubChem CID 63273078) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
PubChem CID63273078
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
SMILESFc1ccc(F)c(OCCCNC2CCCCC2)c1
InChIInChI=1S/C15H21F2NO/c16-12-7-8-14(17)15(11-12)19-10-4-9-18-13-5-2-1-3-6-13/h7-8,11,13,18H,1-6,9-10H2
InChIKeyZTFNNNWOSQKJMT-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.66
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-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
N-[3-(2-chloro-4-fluorophenoxy)propyl]cyclopentanamine
CID 62598567
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[2-(2,5-difluorophenoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 55167560
N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273332
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
CID 81269341
N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273198
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine (CID 63273078) is N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine is Fc1ccc(F)c(OCCCNC2CCCCC2)c1.
What is the InChIKey of N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine?
The InChIKey is ZTFNNNWOSQKJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-12-7-8-14(17)15(11-12)19-10-4-9-18-13-5-2-1-3-6-13/h7-8,11,13,18H,1-6,9-10H2.
What are the key properties of N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine?
N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine has a molecular weight of 269.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 63273078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).