N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine

C15H21BrFNO — CID 65201068

IUPACN-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)Oc1ccc(Br)c(F)c1
InChIInChI=1S/C15H21BrFNO/c1-11(10-18-12-5-3-2-4-6-12)19-13-7-8-14(16)15(17)9-13/h7-9,11-12,18H,2-6,10H2,1H3
InChIKeyHNYTWHKTBRTNBT-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.28
Rot. Bonds5

About N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine

N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine (PubChem CID 65201068) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
PubChem CID65201068
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC NameN-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)Oc1ccc(Br)c(F)c1
InChIInChI=1S/C15H21BrFNO/c1-11(10-18-12-5-3-2-4-6-12)19-13-7-8-14(16)15(17)9-13/h7-9,11-12,18H,2-6,10H2,1H3
InChIKeyHNYTWHKTBRTNBT-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
CID 107170738
N-[2-(4-bromo-2-fluorophenoxy)propyl]cyclohexanamine
CID 55092968
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
CID 62571941
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(2-fluoro-5-methylphenoxy)propyl]cyclohexanamine
CID 64854515
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
CID 102747392

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine (CID 65201068) is N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine is CC(CNC1CCCCC1)Oc1ccc(Br)c(F)c1.
What is the InChIKey of N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine?
The InChIKey is HNYTWHKTBRTNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-11(10-18-12-5-3-2-4-6-12)19-13-7-8-14(16)15(17)9-13/h7-9,11-12,18H,2-6,10H2,1H3.
What are the key properties of N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine?
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine has a molecular weight of 330.24 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 65201068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).