N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine

C18H22FNO — CID 62801895

IUPACN-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)c1ccccc1OCC
InChIInChI=1S/C18H22FNO/c1-4-20-18(14-10-11-16(19)13(3)12-14)15-8-6-7-9-17(15)21-5-2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyARWMCFPQJBAREQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.23
Rot. Bonds6

About N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine

N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 62801895) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
PubChem CID62801895
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)c1ccccc1OCC
InChIInChI=1S/C18H22FNO/c1-4-20-18(14-10-11-16(19)13(3)12-14)15-8-6-7-9-17(15)21-5-2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyARWMCFPQJBAREQ-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 79722958
N-[(4-fluoro-3-methylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792226
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79722384
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
1-(2-ethoxyphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65298862
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693
N-[(2-ethoxy-5-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62302327
1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 82803167
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(2-bromo-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63210003

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine (CID 62801895) is N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(C)c1)c1ccccc1OCC.
What is the InChIKey of N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is ARWMCFPQJBAREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-20-18(14-10-11-16(19)13(3)12-14)15-8-6-7-9-17(15)21-5-2/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 62801895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).