N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline

C20H23N5O — CID 30312108

IUPACN-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCOc1cccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)c1
InChIInChI=1S/C20H23N5O/c1-26-18-12-8-11-17(15-18)25-19(22-23-24-25)20(13-6-3-7-14-20)21-16-9-4-2-5-10-16/h2,4-5,8-12,15,21H,3,6-7,13-14H2,1H3
InChIKeyGFZFABKIBRJGPC-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.94
Rot. Bonds5

About N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline

N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline (PubChem CID 30312108) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline.

Molecular Properties

Compound NameN-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
PubChem CID30312108
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCOc1cccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)c1
InChIInChI=1S/C20H23N5O/c1-26-18-12-8-11-17(15-18)25-19(22-23-24-25)20(13-6-3-7-14-20)21-16-9-4-2-5-10-16/h2,4-5,8-12,15,21H,3,6-7,13-14H2,1H3
InChIKeyGFZFABKIBRJGPC-UHFFFAOYSA-N
XLogP3.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
CID 605453
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311701
3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30310073
ethyl 3-[5-[1-(4-methoxyanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30309882
4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 50812242
N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide
CID 56691116
N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311781
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-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The IUPAC name of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline (CID 30312108) is N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline.
What is the SMILES notation for N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The canonical SMILES for N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline is COc1cccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)c1.
What is the InChIKey of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The InChIKey is GFZFABKIBRJGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-26-18-12-8-11-17(15-18)25-19(22-23-24-25)20(13-6-3-7-14-20)21-16-9-4-2-5-10-16/h2,4-5,8-12,15,21H,3,6-7,13-14H2,1H3.
What are the key properties of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline?
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline has a molecular weight of 349.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline is sourced from PubChem (CID 30312108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).