N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine

C17H20FNO — CID 43493633

IUPACN-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(C)c1)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-4-19-17(14-7-5-6-8-15(14)18)13-9-10-16(20-3)12(2)11-13/h5-11,17,19H,4H2,1-3H3
InChIKeyYTDDYPQIVXXRFO-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.84
Rot. Bonds5

About N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine

N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine (PubChem CID 43493633) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
PubChem CID43493633
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(C)c1)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-4-19-17(14-7-5-6-8-15(14)18)13-9-10-16(20-3)12(2)11-13/h5-11,17,19H,4H2,1-3H3
InChIKeyYTDDYPQIVXXRFO-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493625
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462
N-[(5-bromo-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493610
N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493615
N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43487880
N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 79212686
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62801895
N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105024887
N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81454945
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine (CID 43493633) is N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine is CCNC(c1ccc(OC)c(C)c1)c1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The InChIKey is YTDDYPQIVXXRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-19-17(14-7-5-6-8-15(14)18)13-9-10-16(20-3)12(2)11-13/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43493633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).