1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol

C17H23N3O — CID 133471375

IUPAC1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
SMILESCc1cncc(NCC(O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-12-9-18-11-16(20-12)19-10-15(21)13-5-7-14(8-6-13)17(2,3)4/h5-9,11,15,21H,10H2,1-4H3,(H,19,20)
InChIKeyNPLKJXWEMRNIEK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol

1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol (PubChem CID 133471375) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
PubChem CID133471375
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
SMILESCc1cncc(NCC(O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-12-9-18-11-16(20-12)19-10-15(21)13-5-7-14(8-6-13)17(2,3)4/h5-9,11,15,21H,10H2,1-4H3,(H,19,20)
InChIKeyNPLKJXWEMRNIEK-UHFFFAOYSA-N
XLogP3.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methylpyrazin-2-yl)amino]-1-(4-phenylphenyl)ethanol
CID 133477153
1-(3-methoxyphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 133470904
(1S)-1-(furan-2-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 97351936
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol
CID 133471209
(1S)-2-[(6-propan-2-yloxypyrazin-2-yl)amino]-1-pyridin-4-ylethanol
CID 99621227
N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine
CID 133470236
1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol
CID 82313601
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
(1R)-1-(3-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
CID 99704551
(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 51943049
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol (CID 133471375) is 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol is Cc1cncc(NCC(O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol?
The InChIKey is NPLKJXWEMRNIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-9-18-11-16(20-12)19-10-15(21)13-5-7-14(8-6-13)17(2,3)4/h5-9,11,15,21H,10H2,1-4H3,(H,19,20).
What are the key properties of 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol?
1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol has a molecular weight of 285.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol is sourced from PubChem (CID 133471375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).