4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline

C19H28N4O2 — CID 86782715

IUPAC4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline
SMILESCOc1cc(N2CCOC(C)(C)C2)ccc1NC(C)c1cnn(C)c1
InChIInChI=1S/C19H28N4O2/c1-14(15-11-20-22(4)12-15)21-17-7-6-16(10-18(17)24-5)23-8-9-25-19(2,3)13-23/h6-7,10-12,14,21H,8-9,13H2,1-5H3
InChIKeyGCUMJJKOZRYRPQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.22
Rot. Bonds5

About 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline

4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline (PubChem CID 86782715) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline
PubChem CID86782715
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline
SMILESCOc1cc(N2CCOC(C)(C)C2)ccc1NC(C)c1cnn(C)c1
InChIInChI=1S/C19H28N4O2/c1-14(15-11-20-22(4)12-15)21-17-7-6-16(10-18(17)24-5)23-8-9-25-19(2,3)13-23/h6-7,10-12,14,21H,8-9,13H2,1-5H3
InChIKeyGCUMJJKOZRYRPQ-UHFFFAOYSA-N
XLogP3.22
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline (CID 86782715) is 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline is COc1cc(N2CCOC(C)(C)C2)ccc1NC(C)c1cnn(C)c1.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline?
The InChIKey is GCUMJJKOZRYRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(15-11-20-22(4)12-15)21-17-7-6-16(10-18(17)24-5)23-8-9-25-19(2,3)13-23/h6-7,10-12,14,21H,8-9,13H2,1-5H3.
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline?
4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline has a molecular weight of 344.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline is sourced from PubChem (CID 86782715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).