(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

C12H17N5O — CID 107042566

IUPAC(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCOc1ccc([C@@H](C)NCc2nnn(C)n2)cc1
InChIInChI=1S/C12H17N5O/c1-9(10-4-6-11(18-3)7-5-10)13-8-12-14-16-17(2)15-12/h4-7,9,13H,8H2,1-3H3/t9-/m1/s1
InChIKeyQUQDIIMTVPRTRV-SECBINFHSA-N
MW247.30 g/mol
LogP1.07
Rot. Bonds5

About (1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (PubChem CID 107042566) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
PubChem CID107042566
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCOc1ccc([C@@H](C)NCc2nnn(C)n2)cc1
InChIInChI=1S/C12H17N5O/c1-9(10-4-6-11(18-3)7-5-10)13-8-12-14-16-17(2)15-12/h4-7,9,13H,8H2,1-3H3/t9-/m1/s1
InChIKeyQUQDIIMTVPRTRV-SECBINFHSA-N
XLogP1.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042579
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
2-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81371367
1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63001836
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81370646
1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107048734
3-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81367670
N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 107042155
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 81370559
N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide
CID 81364426
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
(1R)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 107042590

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (CID 107042566) is (1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is COc1ccc([C@@H](C)NCc2nnn(C)n2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is QUQDIIMTVPRTRV-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(10-4-6-11(18-3)7-5-10)13-8-12-14-16-17(2)15-12/h4-7,9,13H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 107042566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).