(2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine

C17H25N3O2 — CID 164637266

IUPAC(2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
SMILESCOC[C@H](C)N(Cc1ccccc1OC)Cc1ccnn1C
InChIInChI=1S/C17H25N3O2/c1-14(13-21-3)20(12-16-9-10-18-19(16)2)11-15-7-5-6-8-17(15)22-4/h5-10,14H,11-13H2,1-4H3/t14-/m0/s1
InChIKeyMIUFPEVCVFWZKM-AWEZNQCLSA-N
MW303.41 g/mol
LogP2.47
Rot. Bonds8

About (2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine

(2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine (PubChem CID 164637266) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
PubChem CID164637266
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
SMILESCOC[C@H](C)N(Cc1ccccc1OC)Cc1ccnn1C
InChIInChI=1S/C17H25N3O2/c1-14(13-21-3)20(12-16-9-10-18-19(16)2)11-15-7-5-6-8-17(15)22-4/h5-10,14H,11-13H2,1-4H3/t14-/m0/s1
InChIKeyMIUFPEVCVFWZKM-AWEZNQCLSA-N
XLogP2.47
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine (CID 164637266) is (2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine is COC[C@H](C)N(Cc1ccccc1OC)Cc1ccnn1C.
What is the InChIKey of (2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine?
The InChIKey is MIUFPEVCVFWZKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(13-21-3)20(12-16-9-10-18-19(16)2)11-15-7-5-6-8-17(15)22-4/h5-10,14H,11-13H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine?
(2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine has a molecular weight of 303.41 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[(2-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 164637266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).