2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

C19H21F3N6 — CID 142468264

IUPAC2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCN(C)CCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H21F3N6/c1-27(2)12-5-13-28-25-18(24-26-28)16-6-3-4-7-17(16)23-15-10-8-14(9-11-15)19(20,21)22/h3-4,6-11,23H,5,12-13H2,1-2H3
InChIKeyDITQQIVZKLXWQP-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.05
Rot. Bonds7

About 2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 142468264) has the molecular formula C19H21F3N6 and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID142468264
Molecular FormulaC19H21F3N6
Molecular Weight390.41 g/mol
Exact Mass390.18
IUPAC Name2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCN(C)CCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H21F3N6/c1-27(2)12-5-13-28-25-18(24-26-28)16-6-3-4-7-17(16)23-15-10-8-14(9-11-15)19(20,21)22/h3-4,6-11,23H,5,12-13H2,1-2H3
InChIKeyDITQQIVZKLXWQP-UHFFFAOYSA-N
XLogP4.05
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 142468264) is 2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is CN(C)CCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is DITQQIVZKLXWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6/c1-27(2)12-5-13-28-25-18(24-26-28)16-6-3-4-7-17(16)23-15-10-8-14(9-11-15)19(20,21)22/h3-4,6-11,23H,5,12-13H2,1-2H3.
What are the key properties of 2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 390.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 142468264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).