2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline

C22H27N5 — CID 50812217

IUPAC2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCc1cccc(-n2nnnc2C2(Nc3ccccc3C)CCC(C)CC2)c1
InChIInChI=1S/C22H27N5/c1-16-11-13-22(14-12-16,23-20-10-5-4-8-18(20)3)21-24-25-26-27(21)19-9-6-7-17(2)15-19/h4-10,15-16,23H,11-14H2,1-3H3
InChIKeyPAALYFUSIOKMNT-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.80
Rot. Bonds4

About 2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline

2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline (PubChem CID 50812217) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
PubChem CID50812217
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCc1cccc(-n2nnnc2C2(Nc3ccccc3C)CCC(C)CC2)c1
InChIInChI=1S/C22H27N5/c1-16-11-13-22(14-12-16,23-20-10-5-4-8-18(20)3)21-24-25-26-27(21)19-9-6-7-17(2)15-19/h4-10,15-16,23H,11-14H2,1-3H3
InChIKeyPAALYFUSIOKMNT-UHFFFAOYSA-N
XLogP4.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.80
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
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline
CID 30312545
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
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 50812242
N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline
CID 30312378
ethyl 3-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312319
ethyl 3-[5-[1-(3,5-dimethylanilino)-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312601
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
CID 30314444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The IUPAC name of 2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline (CID 50812217) is 2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline.
What is the SMILES notation for 2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The canonical SMILES for 2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline is Cc1cccc(-n2nnnc2C2(Nc3ccccc3C)CCC(C)CC2)c1.
What is the InChIKey of 2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The InChIKey is PAALYFUSIOKMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-16-11-13-22(14-12-16,23-20-10-5-4-8-18(20)3)21-24-25-26-27(21)19-9-6-7-17(2)15-19/h4-10,15-16,23H,11-14H2,1-3H3.
What are the key properties of 2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline has a molecular weight of 361.49 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline is sourced from PubChem (CID 50812217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).