2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline

C17H19N5 — CID 86910711

IUPAC2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline
SMILESCCCn1nnnc1CNc1ccccc1-c1ccccc1
InChIInChI=1S/C17H19N5/c1-2-12-22-17(19-20-21-22)13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3
InChIKeyBBDIPGSERAJAEX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.36
Rot. Bonds6

About 2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline

2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline (PubChem CID 86910711) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline
PubChem CID86910711
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline
SMILESCCCn1nnnc1CNc1ccccc1-c1ccccc1
InChIInChI=1S/C17H19N5/c1-2-12-22-17(19-20-21-22)13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3
InChIKeyBBDIPGSERAJAEX-UHFFFAOYSA-N
XLogP3.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 22493225
N-{1-[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]cyclohexyl}aniline
CID 2829506
[(3-Chloro-phenyl)-(1-cyclohexyl-1H-tetrazol-5-yl)-methyl]-o-tolyl-amine
CID 3089937
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173811
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173816
1-(1-Phenethyl-1H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydro-quinoline
CID 6603629
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2-methyl-2,3-dihydro-1H-indole
CID 12004719
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 155530123
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(4-methylphenyl)piperazine
CID 155545607
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(4-fluorophenyl)piperazine
CID 155569643
{1-[1-(2,6-Dimethyl-phenyl)-1H-tetrazol-5-yl]-cyclohexyl}-p-tolyl-amine
CID 3115318
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-phenyl-methyl]-4-(2,3-dimethyl-phenyl)-piperazine
CID 3208886

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline (CID 86910711) is 2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline is CCCn1nnnc1CNc1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline?
The InChIKey is BBDIPGSERAJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-12-22-17(19-20-21-22)13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3.
What are the key properties of 2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline?
2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline has a molecular weight of 293.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 86910711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).