N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine

C16H16BrClFNO — CID 114319001

IUPACN-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrClFNO/c1-2-20-9-14-15(18)4-3-5-16(14)21-10-11-6-12(17)8-13(19)7-11/h3-8,20H,2,9-10H2,1H3
InChIKeyWMZYIPOZXUXYQN-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.93
Rot. Bonds6

About N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine

N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine (PubChem CID 114319001) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine
PubChem CID114319001
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC NameN-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrClFNO/c1-2-20-9-14-15(18)4-3-5-16(14)21-10-11-6-12(17)8-13(19)7-11/h3-8,20H,2,9-10H2,1H3
InChIKeyWMZYIPOZXUXYQN-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
CID 114318396
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
CID 114318984
N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 116689563
1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318666
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 114319725
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]ethanamine
CID 63552227
1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
CID 79701275

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine (CID 114319001) is N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1OCc1cc(F)cc(Br)c1.
What is the InChIKey of N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine?
The InChIKey is WMZYIPOZXUXYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-2-20-9-14-15(18)4-3-5-16(14)21-10-11-6-12(17)8-13(19)7-11/h3-8,20H,2,9-10H2,1H3.
What are the key properties of N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine?
N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine has a molecular weight of 372.67 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine is sourced from PubChem (CID 114319001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).