2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline

C22H21F2N — CID 175391873

IUPAC2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline
SMILESCNc1c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)cc1C(C)C
InChIInChI=1S/C22H21F2N/c1-14(2)20-12-17(15-4-8-18(23)9-5-15)13-21(22(20)25-3)16-6-10-19(24)11-7-16/h4-14,25H,1-3H3
InChIKeyDMCVTTBSMQZUOE-UHFFFAOYSA-N
MW337.41 g/mol
LogP6.46
Rot. Bonds4

About 2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline

2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline (PubChem CID 175391873) has the molecular formula C22H21F2N and a molecular weight of 337.41 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline
PubChem CID175391873
Molecular FormulaC22H21F2N
Molecular Weight337.41 g/mol
Exact Mass337.16
IUPAC Name2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline
SMILESCNc1c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)cc1C(C)C
InChIInChI=1S/C22H21F2N/c1-14(2)20-12-17(15-4-8-18(23)9-5-15)13-21(22(20)25-3)16-6-10-19(24)11-7-16/h4-14,25H,1-3H3
InChIKeyDMCVTTBSMQZUOE-UHFFFAOYSA-N
XLogP6.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.41
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline
CID 175207275
4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline
CID 175386310
4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol
CID 58077888
2-(4-fluorophenyl)-6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyridine
CID 171438718
4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol
CID 174494101
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
N,4-dimethyl-2,6-di(propan-2-yl)aniline
CID 154688627
(3R,5S)-7-[2,4-bis(4-fluorophenyl)-6-propan-2-ylphenyl]-3,5-dihydroxyhept-6-ynoic acid
CID 22842455
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene
CID 69105545
1,2,3-trifluoro-5-(4-fluorophenyl)benzene
CID 12982677
(3S,4S,5R)-4-fluoro-7-[2-(4-fluorophenyl)-4-phenyl-6-propan-2-ylphenyl]-3,5-dihydroxyheptanoic acid
CID 58589588

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline?
The IUPAC name of 2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline (CID 175391873) is 2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline is CNc1c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)cc1C(C)C.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline?
The InChIKey is DMCVTTBSMQZUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N/c1-14(2)20-12-17(15-4-8-18(23)9-5-15)13-21(22(20)25-3)16-6-10-19(24)11-7-16/h4-14,25H,1-3H3.
What are the key properties of 2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline?
2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline has a molecular weight of 337.41 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline is sourced from PubChem (CID 175391873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).