N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline

C21H25N5O — CID 605453

IUPACN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
SMILESCOc1cccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCC2)c1
InChIInChI=1S/C21H25N5O/c1-15-8-6-9-16(2)19(15)26-20(23-24-25-26)21(12-4-5-13-21)22-17-10-7-11-18(14-17)27-3/h6-11,14,22H,4-5,12-13H2,1-3H3
InChIKeyBHOHNRUXSWQAMF-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.17
Rot. Bonds5

About N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline

N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline (PubChem CID 605453) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
PubChem CID605453
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
SMILESCOc1cccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCC2)c1
InChIInChI=1S/C21H25N5O/c1-15-8-6-9-16(2)19(15)26-20(23-24-25-26)21(12-4-5-13-21)22-17-10-7-11-18(14-17)27-3/h6-11,14,22H,4-5,12-13H2,1-3H3
InChIKeyBHOHNRUXSWQAMF-UHFFFAOYSA-N
XLogP4.17
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
4-bromo-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 2829520
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
CID 30309876
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311701
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
CID 3912904
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide
CID 171981918
ethyl 3-[5-[1-(4-methoxyanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30309882

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline?
The IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline (CID 605453) is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline.
What is the SMILES notation for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline?
The canonical SMILES for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline is COc1cccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCC2)c1.
What is the InChIKey of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline?
The InChIKey is BHOHNRUXSWQAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-8-6-9-16(2)19(15)26-20(23-24-25-26)21(12-4-5-13-21)22-17-10-7-11-18(14-17)27-3/h6-11,14,22H,4-5,12-13H2,1-3H3.
What are the key properties of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline?
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline has a molecular weight of 363.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline is sourced from PubChem (CID 605453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).