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

C14H19BrFNO — CID 65201303

IUPACN-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO/c1-10(9-17-11-4-2-3-5-11)18-12-6-7-13(15)14(16)8-12/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyYHYOWGSCZSKYIA-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.89
Rot. Bonds5

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

N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine (PubChem CID 65201303) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
PubChem CID65201303
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC NameN-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO/c1-10(9-17-11-4-2-3-5-11)18-12-6-7-13(15)14(16)8-12/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyYHYOWGSCZSKYIA-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
CID 107170738
N-[2-(4-bromo-2-fluorophenoxy)propyl]cyclohexanamine
CID 55092968
N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
CID 62571941
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
CID 102747392
3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline
CID 62583584
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
CID 62783803
N-[2-(2-fluoro-5-methylphenoxy)propyl]cyclohexanamine
CID 64854515

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine?
The IUPAC name of N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine (CID 65201303) is N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine is CC(CNC1CCCC1)Oc1ccc(Br)c(F)c1.
What is the InChIKey of N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine?
The InChIKey is YHYOWGSCZSKYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-10(9-17-11-4-2-3-5-11)18-12-6-7-13(15)14(16)8-12/h6-8,10-11,17H,2-5,9H2,1H3.
What are the key properties of N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine?
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine has a molecular weight of 316.21 g/mol, XLogP of 3.89, 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]cyclopentanamine is sourced from PubChem (CID 65201303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).