4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline

C14H21N5O — CID 61464186

IUPAC4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
SMILESCCC(C)C(C)n1nnnc1-c1cc(OC)ccc1N
InChIInChI=1S/C14H21N5O/c1-5-9(2)10(3)19-14(16-17-18-19)12-8-11(20-4)6-7-13(12)15/h6-10H,5,15H2,1-4H3
InChIKeyUHXBXINTCRXRLT-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.54
Rot. Bonds5

About 4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline

4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline (PubChem CID 61464186) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
PubChem CID61464186
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
SMILESCCC(C)C(C)n1nnnc1-c1cc(OC)ccc1N
InChIInChI=1S/C14H21N5O/c1-5-9(2)10(3)19-14(16-17-18-19)12-8-11(20-4)6-7-13(12)15/h6-10H,5,15H2,1-4H3
InChIKeyUHXBXINTCRXRLT-UHFFFAOYSA-N
XLogP2.54
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.54
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

2-chloro-4-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 82787385
2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline
CID 61376569
4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline
CID 115326829
4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline
CID 65455458
2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline
CID 61354470
2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline
CID 61376382
4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82940112
4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61377736
3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 81102063
4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
CID 80714836
4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 79779039
3-(1-butan-2-yltetrazol-5-yl)-2-methoxyaniline
CID 113386681

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline (CID 61464186) is 4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline is CCC(C)C(C)n1nnnc1-c1cc(OC)ccc1N.
What is the InChIKey of 4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is UHXBXINTCRXRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-9(2)10(3)19-14(16-17-18-19)12-8-11(20-4)6-7-13(12)15/h6-10H,5,15H2,1-4H3.
What are the key properties of 4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline?
4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline has a molecular weight of 275.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61464186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).