2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline

C15H20ClN5 — CID 82779718

IUPAC2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline
SMILESNc1ccc(-c2nnnn2C2CCCCCCC2)cc1Cl
InChIInChI=1S/C15H20ClN5/c16-13-10-11(8-9-14(13)17)15-18-19-20-21(15)12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,17H2
InChIKeyMBOLNSUZORJBKR-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.86
Rot. Bonds2

About 2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline

2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline (PubChem CID 82779718) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline
PubChem CID82779718
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline
SMILESNc1ccc(-c2nnnn2C2CCCCCCC2)cc1Cl
InChIInChI=1S/C15H20ClN5/c16-13-10-11(8-9-14(13)17)15-18-19-20-21(15)12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,17H2
InChIKeyMBOLNSUZORJBKR-UHFFFAOYSA-N
XLogP3.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline
CID 62680823
2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline
CID 61354472
2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550889
3-(1-cyclohexyltetrazol-5-yl)aniline
CID 61351420
2-chloro-4-[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 82779853
4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline
CID 61378718
2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline
CID 82779058
5-(1-cyclobutyltetrazol-5-yl)-2-ethoxyaniline
CID 62415801
2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline
CID 61376382
2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline
CID 61354470
2-(1-cyclobutyltetrazol-5-yl)-4-methylaniline
CID 65454710
2-bromo-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61376603

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline?
The IUPAC name of 2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline (CID 82779718) is 2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline.
What is the SMILES notation for 2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline?
The canonical SMILES for 2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline is Nc1ccc(-c2nnnn2C2CCCCCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline?
The InChIKey is MBOLNSUZORJBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c16-13-10-11(8-9-14(13)17)15-18-19-20-21(15)12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,17H2.
What are the key properties of 2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline?
2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline has a molecular weight of 305.81 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline is sourced from PubChem (CID 82779718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).