N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine

C23H24FNO2 — CID 54803862

IUPACN-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H24FNO2/c1-18(25-17-19-11-13-20(24)14-12-19)22-9-5-6-10-23(22)27-16-15-26-21-7-3-2-4-8-21/h2-14,18,25H,15-17H2,1H3
InChIKeyWKBLIBFCGNRYFK-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.13
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine

N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine (PubChem CID 54803862) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
PubChem CID54803862
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H24FNO2/c1-18(25-17-19-11-13-20(24)14-12-19)22-9-5-6-10-23(22)27-16-15-26-21-7-3-2-4-8-21/h2-14,18,25H,15-17H2,1H3
InChIKeyWKBLIBFCGNRYFK-UHFFFAOYSA-N
XLogP5.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 54803868
N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54804997
1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 60659012
4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol
CID 115715689
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43194863
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28624330
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
CID 81388530
N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 54803920
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine (CID 54803862) is N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine is CC(NCc1ccc(F)cc1)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine?
The InChIKey is WKBLIBFCGNRYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-18(25-17-19-11-13-20(24)14-12-19)22-9-5-6-10-23(22)27-16-15-26-21-7-3-2-4-8-21/h2-14,18,25H,15-17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine?
N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine has a molecular weight of 365.45 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 54803862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).