N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine

C16H16Cl2FNO — CID 107457585

IUPACN-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H16Cl2FNO/c1-2-20-9-11-3-4-16(19)12(5-11)10-21-15-7-13(17)6-14(18)8-15/h3-8,20H,2,9-10H2,1H3
InChIKeyUKKNWLNEVWBSFR-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.82
Rot. Bonds6

About N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine

N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine (PubChem CID 107457585) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
PubChem CID107457585
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H16Cl2FNO/c1-2-20-9-11-3-4-16(19)12(5-11)10-21-15-7-13(17)6-14(18)8-15/h3-8,20H,2,9-10H2,1H3
InChIKeyUKKNWLNEVWBSFR-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-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
CID 107457958
N-[[3-[(5-bromo-3-pyridinyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457738
N-[[3-[(3-chlorophenyl)methoxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457759
1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457271
1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457483
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457828
N-[[3-bromo-4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 102774021
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine (CID 107457585) is N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine is CCNCc1ccc(F)c(COc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine?
The InChIKey is UKKNWLNEVWBSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-2-20-9-11-3-4-16(19)12(5-11)10-21-15-7-13(17)6-14(18)8-15/h3-8,20H,2,9-10H2,1H3.
What are the key properties of N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine?
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-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-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 107457585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).