3-(1-benzyltetrazol-5-yl)-2-methylaniline

C15H15N5 — CID 61353888

IUPAC3-(1-benzyltetrazol-5-yl)-2-methylaniline
SMILESCc1c(N)cccc1-c1nnnn1Cc1ccccc1
InChIInChI=1S/C15H15N5/c1-11-13(8-5-9-14(11)16)15-17-18-19-20(15)10-12-6-3-2-4-7-12/h2-9H,10,16H2,1H3
InChIKeyYUGJKNUALOPREZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.28
Rot. Bonds3

About 3-(1-benzyltetrazol-5-yl)-2-methylaniline

3-(1-benzyltetrazol-5-yl)-2-methylaniline (PubChem CID 61353888) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(1-benzyltetrazol-5-yl)-2-methylaniline.

Molecular Properties

Compound Name3-(1-benzyltetrazol-5-yl)-2-methylaniline
PubChem CID61353888
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name3-(1-benzyltetrazol-5-yl)-2-methylaniline
SMILESCc1c(N)cccc1-c1nnnn1Cc1ccccc1
InChIInChI=1S/C15H15N5/c1-11-13(8-5-9-14(11)16)15-17-18-19-20(15)10-12-6-3-2-4-7-12/h2-9H,10,16H2,1H3
InChIKeyYUGJKNUALOPREZ-UHFFFAOYSA-N
XLogP2.28
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.28
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

1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614
2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline
CID 61352024
3-[1-(cyclobutylmethyl)tetrazol-5-yl]-2-methylaniline
CID 61353230
3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline
CID 103298118
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 61354425
3-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]-2-methylaniline
CID 65039057
5-(1-benzyltetrazol-5-yl)-2-bromoaniline
CID 61354077
3-chloro-2-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]aniline
CID 63663645
3-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]-2-chloroaniline
CID 115936227
2-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61414372
2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline
CID 115547909

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyltetrazol-5-yl)-2-methylaniline?
The IUPAC name of 3-(1-benzyltetrazol-5-yl)-2-methylaniline (CID 61353888) is 3-(1-benzyltetrazol-5-yl)-2-methylaniline.
What is the SMILES notation for 3-(1-benzyltetrazol-5-yl)-2-methylaniline?
The canonical SMILES for 3-(1-benzyltetrazol-5-yl)-2-methylaniline is Cc1c(N)cccc1-c1nnnn1Cc1ccccc1.
What is the InChIKey of 3-(1-benzyltetrazol-5-yl)-2-methylaniline?
The InChIKey is YUGJKNUALOPREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-11-13(8-5-9-14(11)16)15-17-18-19-20(15)10-12-6-3-2-4-7-12/h2-9H,10,16H2,1H3.
What are the key properties of 3-(1-benzyltetrazol-5-yl)-2-methylaniline?
3-(1-benzyltetrazol-5-yl)-2-methylaniline has a molecular weight of 265.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyltetrazol-5-yl)-2-methylaniline is sourced from PubChem (CID 61353888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).