4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline

C14H12F3NO — CID 166784771

IUPAC4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline
SMILESCOc1ccc(-c2ccc(N)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-19-13-7-4-10(8-12(13)14(15,16)17)9-2-5-11(18)6-3-9/h2-8H,18H2,1H3
InChIKeyFYKVVPVYTGHHKO-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.96
Rot. Bonds2

About 4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline

4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline (PubChem CID 166784771) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline
PubChem CID166784771
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline
SMILESCOc1ccc(-c2ccc(N)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-19-13-7-4-10(8-12(13)14(15,16)17)9-2-5-11(18)6-3-9/h2-8H,18H2,1H3
InChIKeyFYKVVPVYTGHHKO-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
CID 53219174
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
CID 46317327
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
CID 19805070
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
CID 107289743
(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 131503753
4-(methoxymethoxy)-3-(trifluoromethyl)aniline
CID 65365194
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228622
4-(disulfanyl)-1-methoxy-2-(trifluoromethyl)benzene
CID 123568953
4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 161352173

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline (CID 166784771) is 4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline is COc1ccc(-c2ccc(N)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline?
The InChIKey is FYKVVPVYTGHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-19-13-7-4-10(8-12(13)14(15,16)17)9-2-5-11(18)6-3-9/h2-8H,18H2,1H3.
What are the key properties of 4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline?
4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline has a molecular weight of 267.25 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 166784771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).