N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline

C22H26ClN5 — CID 30312342

IUPACN-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
SMILESCc1ccc(NC2(c3nnnn3-c3ccc(C)c(Cl)c3)CCC(C)CC2)cc1
InChIInChI=1S/C22H26ClN5/c1-15-4-7-18(8-5-15)24-22(12-10-16(2)11-13-22)21-25-26-27-28(21)19-9-6-17(3)20(23)14-19/h4-9,14,16,24H,10-13H2,1-3H3
InChIKeyFEIVJVTUTJBNGI-UHFFFAOYSA-N
MW395.94 g/mol
LogP5.45
Rot. Bonds4

About N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline

N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline (PubChem CID 30312342) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
PubChem CID30312342
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC NameN-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
SMILESCc1ccc(NC2(c3nnnn3-c3ccc(C)c(Cl)c3)CCC(C)CC2)cc1
InChIInChI=1S/C22H26ClN5/c1-15-4-7-18(8-5-15)24-22(12-10-16(2)11-13-22)21-25-26-27-28(21)19-9-6-17(3)20(23)14-19/h4-9,14,16,24H,10-13H2,1-3H3
InChIKeyFEIVJVTUTJBNGI-UHFFFAOYSA-N
XLogP5.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.94
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline
CID 30314783
3-bromo-4-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 3560575
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312310
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
CID 30313030
ethyl 4-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312316
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
ethyl 3-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312319
2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 50812217
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline
CID 30312545
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
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-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline?
The IUPAC name of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline (CID 30312342) is N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline.
What is the SMILES notation for N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline?
The canonical SMILES for N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline is Cc1ccc(NC2(c3nnnn3-c3ccc(C)c(Cl)c3)CCC(C)CC2)cc1.
What is the InChIKey of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline?
The InChIKey is FEIVJVTUTJBNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/c1-15-4-7-18(8-5-15)24-22(12-10-16(2)11-13-22)21-25-26-27-28(21)19-9-6-17(3)20(23)14-19/h4-9,14,16,24H,10-13H2,1-3H3.
What are the key properties of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline?
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline has a molecular weight of 395.94 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline is sourced from PubChem (CID 30312342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).