N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine

C16H17BrFNO — CID 63046886

IUPACN-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-2-19-10-13-5-8-16(15(17)9-13)20-11-12-3-6-14(18)7-4-12/h3-9,19H,2,10-11H2,1H3
InChIKeyYRHRPXIKEDYJMI-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.28
Rot. Bonds6

About N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine

N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 63046886) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID63046886
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-2-19-10-13-5-8-16(15(17)9-13)20-11-12-3-6-14(18)7-4-12/h3-9,19H,2,10-11H2,1H3
InChIKeyYRHRPXIKEDYJMI-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63045368
N-[(3-bromo-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29222747
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 63044994
2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol
CID 63044980
N'-[(3-bromo-4-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215801
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[3-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62460175
N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 17156869
N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 63045683

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine (CID 63046886) is N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is YRHRPXIKEDYJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-2-19-10-13-5-8-16(15(17)9-13)20-11-12-3-6-14(18)7-4-12/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63046886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).