3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol

C18H24N2O — CID 80522541

IUPAC3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
SMILESCC(C)(C)c1ccc(C(O)C(CN)c2cccnc2)cc1
InChIInChI=1S/C18H24N2O/c1-18(2,3)15-8-6-13(7-9-15)17(21)16(11-19)14-5-4-10-20-12-14/h4-10,12,16-17,21H,11,19H2,1-3H3
InChIKeyLQXZJIAZZYCVSY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.15
Rot. Bonds4

About 3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol

3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol (PubChem CID 80522541) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
PubChem CID80522541
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
SMILESCC(C)(C)c1ccc(C(O)C(CN)c2cccnc2)cc1
InChIInChI=1S/C18H24N2O/c1-18(2,3)15-8-6-13(7-9-15)17(21)16(11-19)14-5-4-10-20-12-14/h4-10,12,16-17,21H,11,19H2,1-3H3
InChIKeyLQXZJIAZZYCVSY-UHFFFAOYSA-N
XLogP3.15
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
CID 80523424
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid
CID 116824819
3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261
1-amino-4-cyclopropyl-2-pyridin-3-ylpentan-3-ol
CID 83149883
3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 80522600
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol
CID 164650292
3-amino-1-(2,5-difluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523241
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol (CID 80522541) is 3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol is CC(C)(C)c1ccc(C(O)C(CN)c2cccnc2)cc1.
What is the InChIKey of 3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol?
The InChIKey is LQXZJIAZZYCVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,3)15-8-6-13(7-9-15)17(21)16(11-19)14-5-4-10-20-12-14/h4-10,12,16-17,21H,11,19H2,1-3H3.
What are the key properties of 3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol?
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 80522541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).