2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine

C24H26FNO — CID 71716896

IUPAC2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine
SMILESCOc1ccc(C(CC(F)CN)(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26FNO/c1-18-8-10-20(11-9-18)24(16-22(25)17-26,19-6-4-3-5-7-19)21-12-14-23(27-2)15-13-21/h3-15,22H,16-17,26H2,1-2H3
InChIKeyCHQFZSXWIXTJPN-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.02
Rot. Bonds7

About 2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine

2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine (PubChem CID 71716896) has the molecular formula C24H26FNO and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine
PubChem CID71716896
Molecular FormulaC24H26FNO
Molecular Weight363.48 g/mol
Exact Mass363.20
IUPAC Name2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine
SMILESCOc1ccc(C(CC(F)CN)(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26FNO/c1-18-8-10-20(11-9-18)24(16-22(25)17-26,19-6-4-3-5-7-19)21-12-14-23(27-2)15-13-21/h3-15,22H,16-17,26H2,1-2H3
InChIKeyCHQFZSXWIXTJPN-UHFFFAOYSA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
CID 70004134
2-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylacetamide
CID 121405860
1-methoxy-4-methylbenzene;propane
CID 142064987
1-methoxy-4-methylbenzene;phenol
CID 167630836
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-[1-hydroxy-3,3-bis(4-methoxyphenyl)-3-phenylpropyl]sulfonylacetaldehyde
CID 88620158
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779
(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 11187177
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848
methane;1-methoxy-4-methylbenzene;propane;1,2-xylene
CID 158575939
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine?
The IUPAC name of 2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine (CID 71716896) is 2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine.
What is the SMILES notation for 2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine?
The canonical SMILES for 2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine is COc1ccc(C(CC(F)CN)(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine?
The InChIKey is CHQFZSXWIXTJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO/c1-18-8-10-20(11-9-18)24(16-22(25)17-26,19-6-4-3-5-7-19)21-12-14-23(27-2)15-13-21/h3-15,22H,16-17,26H2,1-2H3.
What are the key properties of 2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine?
2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine has a molecular weight of 363.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxyphenyl)-4-(4-methylphenyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 71716896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).