N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine

C18H22FNO — CID 107457309

IUPACN-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COc2ccc(CC)cc2)c1
InChIInChI=1S/C18H22FNO/c1-3-14-5-8-17(9-6-14)21-13-16-11-15(12-20-4-2)7-10-18(16)19/h5-11,20H,3-4,12-13H2,1-2H3
InChIKeySGTLWVVRMZZSKR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.08
Rot. Bonds7

About N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine

N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine (PubChem CID 107457309) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
PubChem CID107457309
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COc2ccc(CC)cc2)c1
InChIInChI=1S/C18H22FNO/c1-3-14-5-8-17(9-6-14)21-13-16-11-15(12-20-4-2)7-10-18(16)19/h5-11,20H,3-4,12-13H2,1-2H3
InChIKeySGTLWVVRMZZSKR-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585
N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457271
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-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107457393
N-[[3-bromo-4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 102774021
N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457828
1-[3-[(3,4-difluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457584
2-[[4-(ethylaminomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902677

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine (CID 107457309) is N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine is CCNCc1ccc(F)c(COc2ccc(CC)cc2)c1.
What is the InChIKey of N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine?
The InChIKey is SGTLWVVRMZZSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-14-5-8-17(9-6-14)21-13-16-11-15(12-20-4-2)7-10-18(16)19/h5-11,20H,3-4,12-13H2,1-2H3.
What are the key properties of N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine?
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 107457309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).