(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine

C12H17N5O2 — CID 107041458

IUPAC(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCOc1cc([C@H](C)N)ccc1OCc1nnn(C)n1
InChIInChI=1S/C12H17N5O2/c1-8(13)9-4-5-10(11(6-9)18-3)19-7-12-14-16-17(2)15-12/h4-6,8H,7,13H2,1-3H3/t8-/m0/s1
InChIKeyHBBGONDXHPJXAY-QMMMGPOBSA-N
MW263.30 g/mol
LogP0.82
Rot. Bonds5

About (1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine

(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 107041458) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID107041458
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCOc1cc([C@H](C)N)ccc1OCc1nnn(C)n1
InChIInChI=1S/C12H17N5O2/c1-8(13)9-4-5-10(11(6-9)18-3)19-7-12-14-16-17(2)15-12/h4-6,8H,7,13H2,1-3H3/t8-/m0/s1
InChIKeyHBBGONDXHPJXAY-QMMMGPOBSA-N
XLogP0.82
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-2-methyltetrazole
CID 107044049
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041330
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048328
(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30110379
1-[3-methoxy-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497402
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072
(1R)-1-[3-methoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999803
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine
CID 78936400
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
CID 107043835
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 78936245

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine (CID 107041458) is (1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine is COc1cc([C@H](C)N)ccc1OCc1nnn(C)n1.
What is the InChIKey of (1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is HBBGONDXHPJXAY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(13)9-4-5-10(11(6-9)18-3)19-7-12-14-16-17(2)15-12/h4-6,8H,7,13H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107041458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).