N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline

C14H12F3NO — CID 82537028

IUPACN-(3-methoxyphenyl)-3-(trifluoromethyl)aniline
SMILESCOc1cccc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO/c1-19-13-7-3-6-12(9-13)18-11-5-2-4-10(8-11)14(15,16)17/h2-9,18H,1H3
InChIKeySPACZGSUWZUIMZ-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.46
Rot. Bonds3

About N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline

N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline (PubChem CID 82537028) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(trifluoromethyl)aniline
PubChem CID82537028
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameN-(3-methoxyphenyl)-3-(trifluoromethyl)aniline
SMILESCOc1cccc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO/c1-19-13-7-3-6-12(9-13)18-11-5-2-4-10(8-11)14(15,16)17/h2-9,18H,1H3
InChIKeySPACZGSUWZUIMZ-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline (CID 82537028) is N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline is COc1cccc(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline?
The InChIKey is SPACZGSUWZUIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-19-13-7-3-6-12(9-13)18-11-5-2-4-10(8-11)14(15,16)17/h2-9,18H,1H3.
What are the key properties of N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline?
N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline has a molecular weight of 267.25 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 82537028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).