3-[(1-phenyltetrazol-5-yl)methoxy]aniline

C14H13N5O — CID 61035872

IUPAC3-[(1-phenyltetrazol-5-yl)methoxy]aniline
SMILESNc1cccc(OCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H13N5O/c15-11-5-4-8-13(9-11)20-10-14-16-17-18-19(14)12-6-2-1-3-7-12/h1-9H,10,15H2
InChIKeyNLUHVMMEIOGWCD-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.82
Rot. Bonds4

About 3-[(1-phenyltetrazol-5-yl)methoxy]aniline

3-[(1-phenyltetrazol-5-yl)methoxy]aniline (PubChem CID 61035872) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(1-phenyltetrazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(1-phenyltetrazol-5-yl)methoxy]aniline
PubChem CID61035872
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name3-[(1-phenyltetrazol-5-yl)methoxy]aniline
SMILESNc1cccc(OCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H13N5O/c15-11-5-4-8-13(9-11)20-10-14-16-17-18-19(14)12-6-2-1-3-7-12/h1-9H,10,15H2
InChIKeyNLUHVMMEIOGWCD-UHFFFAOYSA-N
XLogP1.82
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 106484887
5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole
CID 24617612
3-(5-ethyltetrazol-1-yl)aniline
CID 43424026
1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole
CID 55988919
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
3-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201154
(1-phenyltetrazol-5-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 9264581
3-methyl-4-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43302821
N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
CID 62500427
3-bromo-5-(1-phenyltetrazol-5-yl)oxyaniline
CID 103589118
5-butyl-1-phenyltetrazole
CID 69031432

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenyltetrazol-5-yl)methoxy]aniline?
The IUPAC name of 3-[(1-phenyltetrazol-5-yl)methoxy]aniline (CID 61035872) is 3-[(1-phenyltetrazol-5-yl)methoxy]aniline.
What is the SMILES notation for 3-[(1-phenyltetrazol-5-yl)methoxy]aniline?
The canonical SMILES for 3-[(1-phenyltetrazol-5-yl)methoxy]aniline is Nc1cccc(OCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 3-[(1-phenyltetrazol-5-yl)methoxy]aniline?
The InChIKey is NLUHVMMEIOGWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-11-5-4-8-13(9-11)20-10-14-16-17-18-19(14)12-6-2-1-3-7-12/h1-9H,10,15H2.
What are the key properties of 3-[(1-phenyltetrazol-5-yl)methoxy]aniline?
3-[(1-phenyltetrazol-5-yl)methoxy]aniline has a molecular weight of 267.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenyltetrazol-5-yl)methoxy]aniline is sourced from PubChem (CID 61035872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).