3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline

C9H10ClN5O — CID 107040843

IUPAC3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
SMILESCn1nnc(COc2ccc(N)cc2Cl)n1
InChIInChI=1S/C9H10ClN5O/c1-15-13-9(12-14-15)5-16-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3
InChIKeyLEBHYPZKIHKOSM-UHFFFAOYSA-N
MW239.67 g/mol
LogP1.02
Rot. Bonds3

About 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline

3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline (PubChem CID 107040843) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
PubChem CID107040843
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
SMILESCn1nnc(COc2ccc(N)cc2Cl)n1
InChIInChI=1S/C9H10ClN5O/c1-15-13-9(12-14-15)5-16-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3
InChIKeyLEBHYPZKIHKOSM-UHFFFAOYSA-N
XLogP1.02
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
CID 107043154
[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041085
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041330
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
CID 107043835
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
CID 11459043
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
3-chloro-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19626971
4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107044786
5-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-2-methyltetrazole
CID 107044026
3-bromo-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
CID 107043156

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline?
The IUPAC name of 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline (CID 107040843) is 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline.
What is the SMILES notation for 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline?
The canonical SMILES for 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline is Cn1nnc(COc2ccc(N)cc2Cl)n1.
What is the InChIKey of 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline?
The InChIKey is LEBHYPZKIHKOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-15-13-9(12-14-15)5-16-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3.
What are the key properties of 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline?
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline has a molecular weight of 239.67 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline is sourced from PubChem (CID 107040843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).