N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline

C22H27N5O — CID 30312310

IUPACN-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
SMILESCOc1ccc(-n2nnnc2C2(Nc3ccc(C)cc3)CCC(C)CC2)cc1
InChIInChI=1S/C22H27N5O/c1-16-4-6-18(7-5-16)23-22(14-12-17(2)13-15-22)21-24-25-26-27(21)19-8-10-20(28-3)11-9-19/h4-11,17,23H,12-15H2,1-3H3
InChIKeyQEURLFSPIULXOC-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.50
Rot. Bonds5

About N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline

N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline (PubChem CID 30312310) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
PubChem CID30312310
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
SMILESCOc1ccc(-n2nnnc2C2(Nc3ccc(C)cc3)CCC(C)CC2)cc1
InChIInChI=1S/C22H27N5O/c1-16-4-6-18(7-5-16)23-22(14-12-17(2)13-15-22)21-24-25-26-27(21)19-8-10-20(28-3)11-9-19/h4-11,17,23H,12-15H2,1-3H3
InChIKeyQEURLFSPIULXOC-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline
CID 30312378
ethyl 4-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312316
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312342
3-bromo-4-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 3560575
4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 40530101
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923
N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide
CID 56691116
ethyl 3-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312319
4-methoxy-N-[(1R,2S)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-2-methylcyclohexyl]aniline
CID 7393898
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
CID 30309876
1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine
CID 50812701
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline?
The IUPAC name of N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline (CID 30312310) is N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline.
What is the SMILES notation for N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline?
The canonical SMILES for N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline is COc1ccc(-n2nnnc2C2(Nc3ccc(C)cc3)CCC(C)CC2)cc1.
What is the InChIKey of N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline?
The InChIKey is QEURLFSPIULXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-4-6-18(7-5-16)23-22(14-12-17(2)13-15-22)21-24-25-26-27(21)19-8-10-20(28-3)11-9-19/h4-11,17,23H,12-15H2,1-3H3.
What are the key properties of N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline?
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline has a molecular weight of 377.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline is sourced from PubChem (CID 30312310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).