1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine

C11H14ClN5O — CID 107041330

IUPAC1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCc1nnn(C)n1
InChIInChI=1S/C11H14ClN5O/c1-7(13)9-5-8(12)3-4-10(9)18-6-11-14-16-17(2)15-11/h3-5,7H,6,13H2,1-2H3
InChIKeyQQHQHRSGYRASHO-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.46
Rot. Bonds4

About 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine

1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 107041330) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID107041330
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCc1nnn(C)n1
InChIInChI=1S/C11H14ClN5O/c1-7(13)9-5-8(12)3-4-10(9)18-6-11-14-16-17(2)15-11/h3-5,7H,6,13H2,1-2H3
InChIKeyQQHQHRSGYRASHO-UHFFFAOYSA-N
XLogP1.46
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
CID 107043835
[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041085
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041458
(1R)-1-[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 78933015
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 62075077
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
(1S)-1-[5-chloro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78932663
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934191

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine (CID 107041330) is 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine is CC(N)c1cc(Cl)ccc1OCc1nnn(C)n1.
What is the InChIKey of 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is QQHQHRSGYRASHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-7(13)9-5-8(12)3-4-10(9)18-6-11-14-16-17(2)15-11/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 267.72 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107041330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).