N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine

C15H21F2NO — CID 62571941

IUPACN-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)Oc1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO/c1-11(10-18-13-5-3-2-4-6-13)19-15-8-7-12(16)9-14(15)17/h7-9,11,13,18H,2-6,10H2,1H3
InChIKeyFGEWHRVRSSTGBC-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.65
Rot. Bonds5

About N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine

N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine (PubChem CID 62571941) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
PubChem CID62571941
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)Oc1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO/c1-11(10-18-13-5-3-2-4-6-13)19-15-8-7-12(16)9-14(15)17/h7-9,11,13,18H,2-6,10H2,1H3
InChIKeyFGEWHRVRSSTGBC-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-fluorophenoxy)propyl]cyclohexanamine
CID 55092968
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
N-[2-(2-fluoro-5-methylphenoxy)propyl]cyclohexanamine
CID 64854515
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine
CID 62577788
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-(2,5-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55167175

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine (CID 62571941) is N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine is CC(CNC1CCCCC1)Oc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine?
The InChIKey is FGEWHRVRSSTGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11(10-18-13-5-3-2-4-6-13)19-15-8-7-12(16)9-14(15)17/h7-9,11,13,18H,2-6,10H2,1H3.
What are the key properties of N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine?
N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine has a molecular weight of 269.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 62571941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).