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

C21H25N5O — CID 30309923

IUPAC3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCOc1cccc(NC2(c3nnnn3-c3ccc(C)cc3)CCCCC2)c1
InChIInChI=1S/C21H25N5O/c1-16-9-11-18(12-10-16)26-20(23-24-25-26)21(13-4-3-5-14-21)22-17-7-6-8-19(15-17)27-2/h6-12,15,22H,3-5,13-14H2,1-2H3
InChIKeyCKJABRYGPVZWSF-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.25
Rot. Bonds5

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

3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline (PubChem CID 30309923) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
PubChem CID30309923
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCOc1cccc(NC2(c3nnnn3-c3ccc(C)cc3)CCCCC2)c1
InChIInChI=1S/C21H25N5O/c1-16-9-11-18(12-10-16)26-20(23-24-25-26)21(13-4-3-5-14-21)22-17-7-6-8-19(15-17)27-2/h6-12,15,22H,3-5,13-14H2,1-2H3
InChIKeyCKJABRYGPVZWSF-UHFFFAOYSA-N
XLogP4.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 40530101
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312310
3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30310073
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide
CID 56691116
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
1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311701

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The IUPAC name of 3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline (CID 30309923) is 3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline.
What is the SMILES notation for 3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The canonical SMILES for 3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline is COc1cccc(NC2(c3nnnn3-c3ccc(C)cc3)CCCCC2)c1.
What is the InChIKey of 3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The InChIKey is CKJABRYGPVZWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-9-11-18(12-10-16)26-20(23-24-25-26)21(13-4-3-5-14-21)22-17-7-6-8-19(15-17)27-2/h6-12,15,22H,3-5,13-14H2,1-2H3.
What are the key properties of 3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline has a molecular weight of 363.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline is sourced from PubChem (CID 30309923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).