N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline

C22H26ClN5 — CID 30314783

IUPACN-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline
SMILESCc1ccc(-n2nnnc2C2(Nc3ccccc3C)CCC(C)CC2)cc1Cl
InChIInChI=1S/C22H26ClN5/c1-15-10-12-22(13-11-15,24-20-7-5-4-6-17(20)3)21-25-26-27-28(21)18-9-8-16(2)19(23)14-18/h4-9,14-15,24H,10-13H2,1-3H3
InChIKeyBJRRHSKWAMLZGN-UHFFFAOYSA-N
MW395.94 g/mol
LogP5.45
Rot. Bonds4

About N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline

N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline (PubChem CID 30314783) 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]-2-methylaniline.

Molecular Properties

Compound NameN-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline
PubChem CID30314783
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC NameN-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline
SMILESCc1ccc(-n2nnnc2C2(Nc3ccccc3C)CCC(C)CC2)cc1Cl
InChIInChI=1S/C22H26ClN5/c1-15-10-12-22(13-11-15,24-20-7-5-4-6-17(20)3)21-25-26-27-28(21)18-9-8-16(2)19(23)14-18/h4-9,14-15,24H,10-13H2,1-3H3
InChIKeyBJRRHSKWAMLZGN-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

2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 50812217
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312342
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
CID 30313030
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline
CID 30312545
3-bromo-4-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 3560575
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
CID 30314444
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312310
N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline
CID 30312378
ethyl 3-[5-[1-(3,5-dimethylanilino)-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312601
ethyl 3-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312319
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
CID 30312897

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline?
The IUPAC name of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline (CID 30314783) is N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline.
What is the SMILES notation for N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline?
The canonical SMILES for N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline is Cc1ccc(-n2nnnc2C2(Nc3ccccc3C)CCC(C)CC2)cc1Cl.
What is the InChIKey of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline?
The InChIKey is BJRRHSKWAMLZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/c1-15-10-12-22(13-11-15,24-20-7-5-4-6-17(20)3)21-25-26-27-28(21)18-9-8-16(2)19(23)14-18/h4-9,14-15,24H,10-13H2,1-3H3.
What are the key properties of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline?
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-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]-2-methylaniline is sourced from PubChem (CID 30314783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).