2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline

C15H14ClN5 — CID 115547909

IUPAC2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline
SMILESNc1c(Cl)cccc1-c1nnnn1CCc1ccccc1
InChIInChI=1S/C15H14ClN5/c16-13-8-4-7-12(14(13)17)15-18-19-20-21(15)10-9-11-5-2-1-3-6-11/h1-8H,9-10,17H2
InChIKeyCCOIVVZLYBTEJN-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline

2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline (PubChem CID 115547909) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline
PubChem CID115547909
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline
SMILESNc1c(Cl)cccc1-c1nnnn1CCc1ccccc1
InChIInChI=1S/C15H14ClN5/c16-13-8-4-7-12(14(13)17)15-18-19-20-21(15)10-9-11-5-2-1-3-6-11/h1-8H,9-10,17H2
InChIKeyCCOIVVZLYBTEJN-UHFFFAOYSA-N
XLogP2.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115548061
3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride
CID 11602876
2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline
CID 115548002
3-(1-benzyltetrazol-5-yl)-2-methylaniline
CID 61353888
4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182235
2-chloro-6-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline
CID 115547998
2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline
CID 115547874
1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614
2-chloro-6-[1-(2,6-dibromophenyl)tetrazol-5-yl]aniline
CID 107603020
2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 61354425
2-chloro-6-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115547966
2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline
CID 115548041

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline (CID 115547909) is 2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline is Nc1c(Cl)cccc1-c1nnnn1CCc1ccccc1.
What is the InChIKey of 2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline?
The InChIKey is CCOIVVZLYBTEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-13-8-4-7-12(14(13)17)15-18-19-20-21(15)10-9-11-5-2-1-3-6-11/h1-8H,9-10,17H2.
What are the key properties of 2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline?
2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline has a molecular weight of 299.77 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 115547909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).