2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline

C21H18FN5 — CID 73052515

IUPAC2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H18FN5/c1-26(2)19-13-7-5-10-16(19)15-9-3-4-11-17(15)21-23-24-25-27(21)20-14-8-6-12-18(20)22/h3-14H,1-2H3
InChIKeyMONHQRKEVHLAOV-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.20
Rot. Bonds4

About 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline

2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline (PubChem CID 73052515) has the molecular formula C21H18FN5 and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline
PubChem CID73052515
Molecular FormulaC21H18FN5
Molecular Weight359.41 g/mol
Exact Mass359.15
IUPAC Name2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H18FN5/c1-26(2)19-13-7-5-10-16(19)15-9-3-4-11-17(15)21-23-24-25-27(21)20-14-8-6-12-18(20)22/h3-14H,1-2H3
InChIKeyMONHQRKEVHLAOV-UHFFFAOYSA-N
XLogP4.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-1,2,4-triazole
CID 22019234
1H-Tetrazole, 1,5-diphenyl-
CID 139033
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
3-Biphenyl-4-yl-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 4391207
5-(2'-(Fluoromethyl)-[1,1'-biphenyl]-2-yl)-1-(2-fluorophenyl)-1h-tetrazole
CID 73052842
1-(4-Tert-butylphenyl)-5-phenyltetrazole
CID 2732009
1-(2-Methyl-6-propan-2-ylphenyl)-5-phenyltetrazole
CID 872287
1,5-bis(3-methylphenyl)-1H-1,2,3,4-tetraazole
CID 1474273
(4-{2,2-bis[1-(4-methylphenyl)-1H-tetrazol-5-yl]vinyl}phenyl)dimethylamine
CID 2885743
3-Biphenyl-4-yl-5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazole
CID 4423823

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline?
The IUPAC name of 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline (CID 73052515) is 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline is CN(C)c1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline?
The InChIKey is MONHQRKEVHLAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5/c1-26(2)19-13-7-5-10-16(19)15-9-3-4-11-17(15)21-23-24-25-27(21)20-14-8-6-12-18(20)22/h3-14H,1-2H3.
What are the key properties of 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline?
2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline has a molecular weight of 359.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 73052515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).