[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine

C10H12ClN5O — CID 107041085

IUPAC[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
SMILESCn1nnc(COc2ccc(Cl)cc2CN)n1
InChIInChI=1S/C10H12ClN5O/c1-16-14-10(13-15-16)6-17-9-3-2-8(11)4-7(9)5-12/h2-4H,5-6,12H2,1H3
InChIKeyIPKFHSDZUOUDCL-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.90
Rot. Bonds4

About [5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine

[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 107041085) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is [5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
PubChem CID107041085
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
SMILESCn1nnc(COc2ccc(Cl)cc2CN)n1
InChIInChI=1S/C10H12ClN5O/c1-16-14-10(13-15-16)6-17-9-3-2-8(11)4-7(9)5-12/h2-4H,5-6,12H2,1H3
InChIKeyIPKFHSDZUOUDCL-UHFFFAOYSA-N
XLogP0.90
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041330
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
CID 107043835
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880022
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
CID 107043154
[5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61495157
[5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800984
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
CID 107041913
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
[3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107690642
5-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-2-methyltetrazole
CID 107044026

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine (CID 107041085) is [5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine is Cn1nnc(COc2ccc(Cl)cc2CN)n1.
What is the InChIKey of [5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is IPKFHSDZUOUDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-16-14-10(13-15-16)6-17-9-3-2-8(11)4-7(9)5-12/h2-4H,5-6,12H2,1H3.
What are the key properties of [5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine?
[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 253.69 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107041085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).