5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline

C14H18BrN5O — CID 107873980

IUPAC5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
SMILESCc1c(N)cc(Br)cc1-c1nnnn1CCC1CCCO1
InChIInChI=1S/C14H18BrN5O/c1-9-12(7-10(15)8-13(9)16)14-17-18-19-20(14)5-4-11-3-2-6-21-11/h7-8,11H,2-6,16H2,1H3
InChIKeySDBQFEIHOIUYLU-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.56
Rot. Bonds4

About 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline

5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline (PubChem CID 107873980) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
PubChem CID107873980
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
SMILESCc1c(N)cc(Br)cc1-c1nnnn1CCC1CCCO1
InChIInChI=1S/C14H18BrN5O/c1-9-12(7-10(15)8-13(9)16)14-17-18-19-20(14)5-4-11-3-2-6-21-11/h7-8,11H,2-6,16H2,1H3
InChIKeySDBQFEIHOIUYLU-UHFFFAOYSA-N
XLogP2.56
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 106003099
5-bromo-2-methyl-3-(1-pentyltetrazol-5-yl)aniline
CID 107873939
5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline
CID 107873997
5-bromo-2-methyl-3-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]aniline
CID 107874031
5-bromo-2-methyl-3-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 107873944
3-fluoro-5-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 106003127
5-bromo-2-methyl-3-[1-(2-methylbutyl)tetrazol-5-yl]aniline
CID 107873995
5-bromo-3-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2-methylaniline
CID 107874058
4-fluoro-3-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]aniline
CID 61351652
5-bromo-2-methyl-3-[1-(1-oxothian-4-yl)tetrazol-5-yl]aniline
CID 107874046
2-(oxolan-2-yl)ethyl 3-amino-5-bromo-2-methylbenzoate
CID 107873699
5-[1-(1,4-dioxan-2-ylmethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706333

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The IUPAC name of 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline (CID 107873980) is 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The canonical SMILES for 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline is Cc1c(N)cc(Br)cc1-c1nnnn1CCC1CCCO1.
What is the InChIKey of 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The InChIKey is SDBQFEIHOIUYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-9-12(7-10(15)8-13(9)16)14-17-18-19-20(14)5-4-11-3-2-6-21-11/h7-8,11H,2-6,16H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline has a molecular weight of 352.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 107873980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).