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

C14H18BrF2NO — CID 107101679

IUPACN-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine
SMILESFc1cc(Br)cc(OCCNC2CCCCC2)c1F
InChIInChI=1S/C14H18BrF2NO/c15-10-8-12(16)14(17)13(9-10)19-7-6-18-11-4-2-1-3-5-11/h8-9,11,18H,1-7H2
InChIKeyUQRIDODPLDTCSS-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.03
Rot. Bonds5

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

N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine (PubChem CID 107101679) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine
PubChem CID107101679
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC NameN-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine
SMILESFc1cc(Br)cc(OCCNC2CCCCC2)c1F
InChIInChI=1S/C14H18BrF2NO/c15-10-8-12(16)14(17)13(9-10)19-7-6-18-11-4-2-1-3-5-11/h8-9,11,18H,1-7H2
InChIKeyUQRIDODPLDTCSS-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine
CID 107100647
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
1-(5-bromo-2,3-difluorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107097942
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
CID 63273078
N-[2-(2,4,5-trichlorophenoxy)ethyl]cyclohexanamine
CID 55197238
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-3-fluoroaniline
CID 107101708
N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine
CID 55077009
4-(5-bromo-2,3-difluorophenoxy)butane-1-thiol
CID 107102524
5-bromo-1,2-difluoro-3-(3,3,3-trifluoropropoxy)benzene
CID 107098938

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine (CID 107101679) is N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine is Fc1cc(Br)cc(OCCNC2CCCCC2)c1F.
What is the InChIKey of N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine?
The InChIKey is UQRIDODPLDTCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c15-10-8-12(16)14(17)13(9-10)19-7-6-18-11-4-2-1-3-5-11/h8-9,11,18H,1-7H2.
What are the key properties of N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine?
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine has a molecular weight of 334.20 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine is sourced from PubChem (CID 107101679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).