2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline

C18H16F3N5O — CID 7285281

IUPAC2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline
SMILESCOc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C18H16F3N5O/c1-12-3-6-14(7-4-12)26-17(23-24-25-26)9-10-22-15-11-13(18(19,20)21)5-8-16(15)27-2/h3-11,22H,1-2H3/b10-9-
InChIKeyXBBWCZQGPLKBPG-KTKRTIGZSA-N
MW375.35 g/mol
LogP4.08
Rot. Bonds5

About 2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline

2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline (PubChem CID 7285281) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline
PubChem CID7285281
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline
SMILESCOc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C18H16F3N5O/c1-12-3-6-14(7-4-12)26-17(23-24-25-26)9-10-22-15-11-13(18(19,20)21)5-8-16(15)27-2/h3-11,22H,1-2H3/b10-9-
InChIKeyXBBWCZQGPLKBPG-KTKRTIGZSA-N
XLogP4.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline (CID 7285281) is 2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline is COc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline?
The InChIKey is XBBWCZQGPLKBPG-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H16F3N5O/c1-12-3-6-14(7-4-12)26-17(23-24-25-26)9-10-22-15-11-13(18(19,20)21)5-8-16(15)27-2/h3-11,22H,1-2H3/b10-9-.
What are the key properties of 2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline?
2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline has a molecular weight of 375.35 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 7285281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).