4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline

C30H30FN — CID 134560954

IUPAC4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline
SMILESCCCNc1ccc(CCc2ccc(-c3ccc(-c4ccc(C)cc4)cc3F)cc2)cc1
InChIInChI=1S/C30H30FN/c1-3-20-32-28-17-10-24(11-18-28)7-6-23-8-14-26(15-9-23)29-19-16-27(21-30(29)31)25-12-4-22(2)5-13-25/h4-5,8-19,21,32H,3,6-7,20H2,1-2H3
InChIKeyJIDGHUABEPVCEE-UHFFFAOYSA-N
MW423.58 g/mol
LogP8.08
Rot. Bonds8

About 4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline

4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline (PubChem CID 134560954) has the molecular formula C30H30FN and a molecular weight of 423.58 g/mol. Its IUPAC name is 4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline.

Molecular Properties

Compound Name4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline
PubChem CID134560954
Molecular FormulaC30H30FN
Molecular Weight423.58 g/mol
Exact Mass423.24
IUPAC Name4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline
SMILESCCCNc1ccc(CCc2ccc(-c3ccc(-c4ccc(C)cc4)cc3F)cc2)cc1
InChIInChI=1S/C30H30FN/c1-3-20-32-28-17-10-24(11-18-28)7-6-23-8-14-26(15-9-23)29-19-16-27(21-30(29)31)25-12-4-22(2)5-13-25/h4-5,8-19,21,32H,3,6-7,20H2,1-2H3
InChIKeyJIDGHUABEPVCEE-UHFFFAOYSA-N
XLogP8.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2,3-difluoro-4-(4-methylphenyl)phenyl]-N-propylaniline
CID 129140693
1,4-bis(4-butylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-propylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-(4-pentylphenyl)benzene;2-fluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 159443405
2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
CID 174355858
2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene
CID 91411014
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
N-[[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]methyl]butan-1-amine
CID 162060270
4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 144644200
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline?
The IUPAC name of 4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline (CID 134560954) is 4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline.
What is the SMILES notation for 4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline?
The canonical SMILES for 4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline is CCCNc1ccc(CCc2ccc(-c3ccc(-c4ccc(C)cc4)cc3F)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline?
The InChIKey is JIDGHUABEPVCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN/c1-3-20-32-28-17-10-24(11-18-28)7-6-23-8-14-26(15-9-23)29-19-16-27(21-30(29)31)25-12-4-22(2)5-13-25/h4-5,8-19,21,32H,3,6-7,20H2,1-2H3.
What are the key properties of 4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline?
4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline has a molecular weight of 423.58 g/mol, XLogP of 8.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline is sourced from PubChem (CID 134560954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).