4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline

C15H22ClN5 — CID 63463614

IUPAC4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline
SMILESCCCCCCC(C)n1nnnc1-c1cc(Cl)ccc1N
InChIInChI=1S/C15H22ClN5/c1-3-4-5-6-7-11(2)21-15(18-19-20-21)13-10-12(16)8-9-14(13)17/h8-11H,3-7,17H2,1-2H3
InChIKeyRUDIKAXTWGJVBK-UHFFFAOYSA-N
MW307.83 g/mol
LogP4.11
Rot. Bonds7

About 4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline

4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline (PubChem CID 63463614) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline
PubChem CID63463614
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline
SMILESCCCCCCC(C)n1nnnc1-c1cc(Cl)ccc1N
InChIInChI=1S/C15H22ClN5/c1-3-4-5-6-7-11(2)21-15(18-19-20-21)13-10-12(16)8-9-14(13)17/h8-11H,3-7,17H2,1-2H3
InChIKeyRUDIKAXTWGJVBK-UHFFFAOYSA-N
XLogP4.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline
CID 63463613
4-methyl-3-(1-octan-2-yltetrazol-5-yl)aniline
CID 61477974
2-methyl-3-(1-octan-2-yltetrazol-5-yl)aniline
CID 61478494
2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline
CID 62198986
4-chloro-2-[1-(3-methylbutyl)tetrazol-5-yl]aniline
CID 61351688
4-chloro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907782
2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline
CID 55049972
4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 61378568
2-bromo-5-(1-pentan-2-yltetrazol-5-yl)aniline
CID 61354055
2-(1-butyltetrazol-5-yl)-5-chloroaniline
CID 61353252
2-(1-octan-4-yltetrazol-5-yl)aniline
CID 106026899
3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
CID 63925147

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline?
The IUPAC name of 4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline (CID 63463614) is 4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline.
What is the SMILES notation for 4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline?
The canonical SMILES for 4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline is CCCCCCC(C)n1nnnc1-c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline?
The InChIKey is RUDIKAXTWGJVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5/c1-3-4-5-6-7-11(2)21-15(18-19-20-21)13-10-12(16)8-9-14(13)17/h8-11H,3-7,17H2,1-2H3.
What are the key properties of 4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline?
4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline has a molecular weight of 307.83 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline is sourced from PubChem (CID 63463614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).