2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline

C15H20ClN5 — CID 115548002

IUPAC2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline
SMILESCC1CCC(Cn2nnnc2-c2cccc(Cl)c2N)CC1
InChIInChI=1S/C15H20ClN5/c1-10-5-7-11(8-6-10)9-21-15(18-19-20-21)12-3-2-4-13(16)14(12)17/h2-4,10-11H,5-9,17H2,1H3
InChIKeyUQNSMHAUZOWOEO-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.40
Rot. Bonds3

About 2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline

2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline (PubChem CID 115548002) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline
PubChem CID115548002
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline
SMILESCC1CCC(Cn2nnnc2-c2cccc(Cl)c2N)CC1
InChIInChI=1S/C15H20ClN5/c1-10-5-7-11(8-6-10)9-21-15(18-19-20-21)12-3-2-4-13(16)14(12)17/h2-4,10-11H,5-9,17H2,1H3
InChIKeyUQNSMHAUZOWOEO-UHFFFAOYSA-N
XLogP3.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline (CID 115548002) is 2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline is CC1CCC(Cn2nnnc2-c2cccc(Cl)c2N)CC1.
What is the InChIKey of 2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is UQNSMHAUZOWOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-10-5-7-11(8-6-10)9-21-15(18-19-20-21)12-3-2-4-13(16)14(12)17/h2-4,10-11H,5-9,17H2,1H3.
What are the key properties of 2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline?
2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 305.81 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 115548002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).