N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine

C16H16Cl2FNO — CID 107695682

IUPACN-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-2-20-9-11-8-12(19)6-7-16(11)21-10-13-14(17)4-3-5-15(13)18/h3-8,20H,2,9-10H2,1H3
InChIKeyUKHXSJNOXZSVEX-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.82
Rot. Bonds6

About N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine

N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine (PubChem CID 107695682) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
PubChem CID107695682
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-2-20-9-11-8-12(19)6-7-16(11)21-10-13-14(17)4-3-5-15(13)18/h3-8,20H,2,9-10H2,1H3
InChIKeyUKHXSJNOXZSVEX-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695600
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450280
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695728
N-[[5-fluoro-2-(2,4,5-trichlorophenoxy)phenyl]methyl]ethanamine
CID 43314088
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695985
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107695622
N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine (CID 107695682) is N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The InChIKey is UKHXSJNOXZSVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-2-20-9-11-8-12(19)6-7-16(11)21-10-13-14(17)4-3-5-15(13)18/h3-8,20H,2,9-10H2,1H3.
What are the key properties of N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine has a molecular weight of 328.21 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 107695682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).