N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline

C22H27N5O — CID 30309876

IUPACN-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
SMILESCOc1ccc(NC2(c3nnnn3-c3ccc(C)cc3C)CCCCC2)cc1
InChIInChI=1S/C22H27N5O/c1-16-7-12-20(17(2)15-16)27-21(24-25-26-27)22(13-5-4-6-14-22)23-18-8-10-19(28-3)11-9-18/h7-12,15,23H,4-6,13-14H2,1-3H3
InChIKeyLAZOHJYVPCKDAL-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.56
Rot. Bonds5

About N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline

N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline (PubChem CID 30309876) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
PubChem CID30309876
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
SMILESCOc1ccc(NC2(c3nnnn3-c3ccc(C)cc3C)CCCCC2)cc1
InChIInChI=1S/C22H27N5O/c1-16-7-12-20(17(2)15-16)27-21(24-25-26-27)22(13-5-4-6-14-22)23-18-8-10-19(28-3)11-9-18/h7-12,15,23H,4-6,13-14H2,1-3H3
InChIKeyLAZOHJYVPCKDAL-UHFFFAOYSA-N
XLogP4.56
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline
CID 30312378
4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 40530101
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide
CID 56691116
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312310
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
CID 605453
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310326
ethyl 3-[5-[1-(4-methoxyanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30309882
4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 50812242

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline?
The IUPAC name of N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline (CID 30309876) is N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline.
What is the SMILES notation for N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline?
The canonical SMILES for N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline is COc1ccc(NC2(c3nnnn3-c3ccc(C)cc3C)CCCCC2)cc1.
What is the InChIKey of N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline?
The InChIKey is LAZOHJYVPCKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-7-12-20(17(2)15-16)27-21(24-25-26-27)22(13-5-4-6-14-22)23-18-8-10-19(28-3)11-9-18/h7-12,15,23H,4-6,13-14H2,1-3H3.
What are the key properties of N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline?
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline has a molecular weight of 377.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline is sourced from PubChem (CID 30309876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).