4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol

C17H23N3O2 — CID 111478244

IUPAC4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C17H23N3O2/c1-13(2)9-15(12-21)20-10-14-3-5-16(6-4-14)22-17-11-18-7-8-19-17/h3-8,11,13,15,20-21H,9-10,12H2,1-2H3
InChIKeyLIIWAKZDYIHUNA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.77
Rot. Bonds8

About 4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol

4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol (PubChem CID 111478244) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol
PubChem CID111478244
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C17H23N3O2/c1-13(2)9-15(12-21)20-10-14-3-5-16(6-4-14)22-17-11-18-7-8-19-17/h3-8,11,13,15,20-21H,9-10,12H2,1-2H3
InChIKeyLIIWAKZDYIHUNA-UHFFFAOYSA-N
XLogP2.77
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
CID 61240678
N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine
CID 86804405
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
(1R)-1-(4-pyrazin-2-yloxyphenyl)ethanol
CID 7101331
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate
CID 86791936
tert-butyl 4-[[(4-pyrazin-2-yloxyphenyl)methylamino]methyl]benzoate
CID 119139118
2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 111478378
4-methyl-2-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 61247010
2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61245963
2-[(4-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312708
2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine
CID 166179673

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol (CID 111478244) is 4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol is CC(C)CC(CO)NCc1ccc(Oc2cnccn2)cc1.
What is the InChIKey of 4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol?
The InChIKey is LIIWAKZDYIHUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)9-15(12-21)20-10-14-3-5-16(6-4-14)22-17-11-18-7-8-19-17/h3-8,11,13,15,20-21H,9-10,12H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol?
4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 111478244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).