2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol

C18H24N2O — CID 107874683

IUPAC2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
SMILESCC(C)(C)c1ccc(NC(CO)Cc2ccccc2)nc1
InChIInChI=1S/C18H24N2O/c1-18(2,3)15-9-10-17(19-12-15)20-16(13-21)11-14-7-5-4-6-8-14/h4-10,12,16,21H,11,13H2,1-3H3,(H,19,20)
InChIKeyHZQODHLGAVUPFE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.39
Rot. Bonds5

About 2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol

2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol (PubChem CID 107874683) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
PubChem CID107874683
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
SMILESCC(C)(C)c1ccc(NC(CO)Cc2ccccc2)nc1
InChIInChI=1S/C18H24N2O/c1-18(2,3)15-9-10-17(19-12-15)20-16(13-21)11-14-7-5-4-6-8-14/h4-10,12,16,21H,11,13H2,1-3H3,(H,19,20)
InChIKeyHZQODHLGAVUPFE-UHFFFAOYSA-N
XLogP3.39
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63260770
6-[(1-hydroxy-3-phenylpropan-2-yl)amino]pyridine-3-carboxamide
CID 78998923
2-[(4-amino-5-methyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 83265448
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol
CID 80813524
2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80830612
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102436674
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine
CID 65029483
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80914656
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022523

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol (CID 107874683) is 2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol is CC(C)(C)c1ccc(NC(CO)Cc2ccccc2)nc1.
What is the InChIKey of 2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The InChIKey is HZQODHLGAVUPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,3)15-9-10-17(19-12-15)20-16(13-21)11-14-7-5-4-6-8-14/h4-10,12,16,21H,11,13H2,1-3H3,(H,19,20).
What are the key properties of 2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol?
2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 107874683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).