N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine

C15H21F2NO — CID 81269341

IUPACN-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
SMILESFc1cccc(F)c1OCCCNC1CCCCC1
InChIInChI=1S/C15H21F2NO/c16-13-8-4-9-14(17)15(13)19-11-5-10-18-12-6-2-1-3-7-12/h4,8-9,12,18H,1-3,5-7,10-11H2
InChIKeyPWSWAOJRHJQJME-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.66
Rot. Bonds6

About N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine

N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine (PubChem CID 81269341) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
PubChem CID81269341
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
SMILESFc1cccc(F)c1OCCCNC1CCCCC1
InChIInChI=1S/C15H21F2NO/c16-13-8-4-9-14(17)15(13)19-11-5-10-18-12-6-2-1-3-7-12/h4,8-9,12,18H,1-3,5-7,10-11H2
InChIKeyPWSWAOJRHJQJME-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-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
CID 63273078
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine
CID 83051103
N-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]cyclopentanamine
CID 63516390
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
N-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]cyclopentanamine
CID 115750537
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine (CID 81269341) is N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine is Fc1cccc(F)c1OCCCNC1CCCCC1.
What is the InChIKey of N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine?
The InChIKey is PWSWAOJRHJQJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-13-8-4-9-14(17)15(13)19-11-5-10-18-12-6-2-1-3-7-12/h4,8-9,12,18H,1-3,5-7,10-11H2.
What are the key properties of N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine?
N-[3-(2,6-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-(2,6-difluorophenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 81269341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).