N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline

C96H104F4N4O — CID 159012809

IUPACN-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline
SMILESCOc1ccc(N(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N(C)c3ccc(C(F)(F)F)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N(C)c3ccc(C)cc3C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N(C)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H29N.C24H24F3N.C24H27NO.C23H24FN/c1-18-7-10-21(11-8-18)25(4,5)22-12-14-23(15-13-22)26(6)24-16-9-19(2)17-20(24)3;1-17-5-7-18(8-6-17)23(2,3)19-9-13-21(14-10-19)28(4)22-15-11-20(12-16-22)24(25,26)27;1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4)22-14-16-23(26-5)17-15-22;1-17-5-7-18(8-6-17)23(2,3)19-9-13-21(14-10-19)25(4)22-15-11-20(24)12-16-22/h7-17H,1-6H3;5-16H,1-4H3;6-17H,1-5H3;5-16H,1-4H3
InChIKeyJSSBCPSTFFPJFD-UHFFFAOYSA-N
MW1405.91 g/mol
LogP26.14
Rot. Bonds17

About N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline

N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline (PubChem CID 159012809) has the molecular formula C96H104F4N4O and a molecular weight of 1405.91 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline
PubChem CID159012809
Molecular FormulaC96H104F4N4O
Molecular Weight1405.91 g/mol
Exact Mass1404.81
IUPAC NameN-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline
SMILESCOc1ccc(N(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N(C)c3ccc(C(F)(F)F)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N(C)c3ccc(C)cc3C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N(C)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H29N.C24H24F3N.C24H27NO.C23H24FN/c1-18-7-10-21(11-8-18)25(4,5)22-12-14-23(15-13-22)26(6)24-16-9-19(2)17-20(24)3;1-17-5-7-18(8-6-17)23(2,3)19-9-13-21(14-10-19)28(4)22-15-11-20(12-16-22)24(25,26)27;1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4)22-14-16-23(26-5)17-15-22;1-17-5-7-18(8-6-17)23(2,3)19-9-13-21(14-10-19)25(4)22-15-11-20(24)12-16-22/h7-17H,1-6H3;5-16H,1-4H3;6-17H,1-5H3;5-16H,1-4H3
InChIKeyJSSBCPSTFFPJFD-UHFFFAOYSA-N
XLogP26.14
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001405.91
LogP ≤ 526.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline (CID 159012809) is N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline is COc1ccc(N(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N(C)c3ccc(C(F)(F)F)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N(C)c3ccc(C)cc3C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N(C)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline?
The InChIKey is JSSBCPSTFFPJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N.C24H24F3N.C24H27NO.C23H24FN/c1-18-7-10-21(11-8-18)25(4,5)22-12-14-23(15-13-22)26(6)24-16-9-19(2)17-20(24)3;1-17-5-7-18(8-6-17)23(2,3)19-9-13-21(14-10-19)28(4)22-15-11-20(12-16-22)24(25,26)27;1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4)22-14-16-23(26-5)17-15-22;1-17-5-7-18(8-6-17)23(2,3)19-9-13-21(14-10-19)25(4)22-15-11-20(24)12-16-22/h7-17H,1-6H3;5-16H,1-4H3;6-17H,1-5H3;5-16H,1-4H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline?
N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline has a molecular weight of 1405.91 g/mol, XLogP of 26.14, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-(4-methoxyphenyl)-N-methyl-4-[2-(4-methylphenyl)propan-2-yl]aniline;N-methyl-4-[2-(4-methylphenyl)propan-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline;N,2,4-trimethyl-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]aniline is sourced from PubChem (CID 159012809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).