4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline

C29H28FNO — CID 23538982

IUPAC4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline
SMILESCc1cc(-c2ccc(OCc3ccccc3)c(F)c2)c(C)cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C29H28FNO/c1-20-17-27(21(2)16-26(20)23-10-13-25(14-11-23)31(3)4)24-12-15-29(28(30)18-24)32-19-22-8-6-5-7-9-22/h5-18H,19H2,1-4H3
InChIKeyRGVXABCEDWFTLW-UHFFFAOYSA-N
MW425.55 g/mol
LogP7.42
Rot. Bonds6

About 4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline

4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline (PubChem CID 23538982) has the molecular formula C29H28FNO and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline
PubChem CID23538982
Molecular FormulaC29H28FNO
Molecular Weight425.55 g/mol
Exact Mass425.22
IUPAC Name4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline
SMILESCc1cc(-c2ccc(OCc3ccccc3)c(F)c2)c(C)cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C29H28FNO/c1-20-17-27(21(2)16-26(20)23-10-13-25(14-11-23)31(3)4)24-12-15-29(28(30)18-24)32-19-22-8-6-5-7-9-22/h5-18H,19H2,1-4H3
InChIKeyRGVXABCEDWFTLW-UHFFFAOYSA-N
XLogP7.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
4-(6-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)naphthalen-2-yl)-N-methylbenzenamine
CID 56662842
6-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)phenyl)-N-methylnaphthalen-2-amine
CID 56673238
4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline
CID 45485173
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one
CID 52937342
1-(4-Fluorophenyl)-4-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 145968055
1-(4-Naphthalen-2-yloxybutyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 145982315
4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,3-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 2825071
4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 2825072
4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline
CID 2825080
4-[[4-(difluoromethoxy)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 2825081
6-[4-(Dimethylamino)phenyl]-5,7-dimethyl-4-phenylchromen-2-one
CID 6540209

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline (CID 23538982) is 4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline is Cc1cc(-c2ccc(OCc3ccccc3)c(F)c2)c(C)cc1-c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline?
The InChIKey is RGVXABCEDWFTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FNO/c1-20-17-27(21(2)16-26(20)23-10-13-25(14-11-23)31(3)4)24-12-15-29(28(30)18-24)32-19-22-8-6-5-7-9-22/h5-18H,19H2,1-4H3.
What are the key properties of 4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline?
4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline has a molecular weight of 425.55 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-N,N-dimethylaniline is sourced from PubChem (CID 23538982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).