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

C23H24FNO2 — CID 22391215

IUPACN-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(OC)c(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H24FNO2/c1-16(18-7-11-21(26-2)12-8-18)25-15-17-4-13-23(27-3)22(14-17)19-5-9-20(24)10-6-19/h4-14,16,25H,15H2,1-3H3
InChIKeyKHKXTCWIMZVUOD-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.36
Rot. Bonds7

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

N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 22391215) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID22391215
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC NameN-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(OC)c(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H24FNO2/c1-16(18-7-11-21(26-2)12-8-18)25-15-17-4-13-23(27-3)22(14-17)19-5-9-20(24)10-6-19/h4-14,16,25H,15H2,1-3H3
InChIKeyKHKXTCWIMZVUOD-UHFFFAOYSA-N
XLogP5.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348422
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623582
N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 22391257
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43194863
N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115693136
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104865436

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine (CID 22391215) is N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCc2ccc(OC)c(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is KHKXTCWIMZVUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-16(18-7-11-21(26-2)12-8-18)25-15-17-4-13-23(27-3)22(14-17)19-5-9-20(24)10-6-19/h4-14,16,25H,15H2,1-3H3.
What are the key properties of N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine?
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 365.45 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 22391215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).