3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline

C20H23N5O — CID 3417186

IUPAC3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
SMILESCOc1cccc(NC2(c3nnnn3-c3ccccc3C)CCCC2)c1
InChIInChI=1S/C20H23N5O/c1-15-8-3-4-11-18(15)25-19(22-23-24-25)20(12-5-6-13-20)21-16-9-7-10-17(14-16)26-2/h3-4,7-11,14,21H,5-6,12-13H2,1-2H3
InChIKeyNJYKWWKRTGICGQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.86
Rot. Bonds5

About 3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline

3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline (PubChem CID 3417186) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
PubChem CID3417186
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
SMILESCOc1cccc(NC2(c3nnnn3-c3ccccc3C)CCCC2)c1
InChIInChI=1S/C20H23N5O/c1-15-8-3-4-11-18(15)25-19(22-23-24-25)20(12-5-6-13-20)21-16-9-7-10-17(14-16)26-2/h3-4,7-11,14,21H,5-6,12-13H2,1-2H3
InChIKeyNJYKWWKRTGICGQ-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
CID 30309876
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310249
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-(trifluoromethyl)aniline
CID 50812642
N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310310
3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate
CID 8022850
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310810

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline?
The IUPAC name of 3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline (CID 3417186) is 3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline.
What is the SMILES notation for 3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline?
The canonical SMILES for 3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline is COc1cccc(NC2(c3nnnn3-c3ccccc3C)CCCC2)c1.
What is the InChIKey of 3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline?
The InChIKey is NJYKWWKRTGICGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-8-3-4-11-18(15)25-19(22-23-24-25)20(12-5-6-13-20)21-16-9-7-10-17(14-16)26-2/h3-4,7-11,14,21H,5-6,12-13H2,1-2H3.
What are the key properties of 3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline?
3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline has a molecular weight of 349.44 g/mol, XLogP of 3.86, 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-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline is sourced from PubChem (CID 3417186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).