1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine

C17H20FNO — CID 43233112

IUPAC1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(F)c2)cc1C
InChIInChI=1S/C17H20FNO/c1-12-9-14(7-8-17(12)20-3)11-19-13(2)15-5-4-6-16(18)10-15/h4-10,13,19H,11H2,1-3H3
InChIKeyFZRXBOXHMALBCU-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.99
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine

1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine (PubChem CID 43233112) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
PubChem CID43233112
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(F)c2)cc1C
InChIInChI=1S/C17H20FNO/c1-12-9-14(7-8-17(12)20-3)11-19-13(2)15-5-4-6-16(18)10-15/h4-10,13,19H,11H2,1-3H3
InChIKeyFZRXBOXHMALBCU-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

5-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28682658
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365762
1-[3-(difluoromethoxy)phenyl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 119126832
4-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methoxybenzonitrile
CID 106787283
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43406776
[3-[1-[(4-methoxy-3-methylphenyl)methylamino]ethyl]phenyl] acetate
CID 22011044
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43217110
(1S)-1-(3-bromophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81382171
(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81368416
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine (CID 43233112) is 1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine is COc1ccc(CNC(C)c2cccc(F)c2)cc1C.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine?
The InChIKey is FZRXBOXHMALBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-9-14(7-8-17(12)20-3)11-19-13(2)15-5-4-6-16(18)10-15/h4-10,13,19H,11H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine?
1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43233112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).