N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine

C17H17BrFNO — CID 83231219

IUPACN-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2ccc(CNC3CC3)cc2)cc1Br
InChIInChI=1S/C17H17BrFNO/c18-16-9-15(7-8-17(16)19)21-11-13-3-1-12(2-4-13)10-20-14-5-6-14/h1-4,7-9,14,20H,5-6,10-11H2
InChIKeyNPSFVRHYGLFBCQ-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.42
Rot. Bonds6

About N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine

N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 83231219) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID83231219
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC NameN-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2ccc(CNC3CC3)cc2)cc1Br
InChIInChI=1S/C17H17BrFNO/c18-16-9-15(7-8-17(16)19)21-11-13-3-1-12(2-4-13)10-20-14-5-6-14/h1-4,7-9,14,20H,5-6,10-11H2
InChIKeyNPSFVRHYGLFBCQ-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83233513
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 83233328
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050
N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 114929049
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 83231219) is N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine is Fc1ccc(OCc2ccc(CNC3CC3)cc2)cc1Br.
What is the InChIKey of N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is NPSFVRHYGLFBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c18-16-9-15(7-8-17(16)19)21-11-13-3-1-12(2-4-13)10-20-14-5-6-14/h1-4,7-9,14,20H,5-6,10-11H2.
What are the key properties of N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 350.23 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 83231219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).