N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline

C15H13F4NO — CID 43235500

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
SMILESCOc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C15H13F4NO/c1-21-14-7-2-10(8-13(14)16)9-20-12-5-3-11(4-6-12)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyNMNSPUXTMVGCGR-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.47
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline

N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 43235500) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
PubChem CID43235500
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
SMILESCOc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C15H13F4NO/c1-21-14-7-2-10(8-13(14)16)9-20-12-5-3-11(4-6-12)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyNMNSPUXTMVGCGR-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 65022462
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
2-chloro-4-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 60934643
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
1-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913928
3-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 43380515
2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379922
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-3-nitroaniline
CID 60720615

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline (CID 43235500) is N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline is COc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is NMNSPUXTMVGCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-21-14-7-2-10(8-13(14)16)9-20-12-5-3-11(4-6-12)15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline?
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline has a molecular weight of 299.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43235500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).