3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol

C14H14Cl2N2O — CID 80525799

IUPAC3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-10-1-2-11(13(16)7-10)14(19)12(8-17)9-3-5-18-6-4-9/h1-7,12,14,19H,8,17H2
InChIKeyJHAMNGCMBOESGK-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.16
Rot. Bonds4

About 3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol

3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol (PubChem CID 80525799) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
PubChem CID80525799
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-10-1-2-11(13(16)7-10)14(19)12(8-17)9-3-5-18-6-4-9/h1-7,12,14,19H,8,17H2
InChIKeyJHAMNGCMBOESGK-UHFFFAOYSA-N
XLogP3.16
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525805
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525686
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525748
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65190567

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol (CID 80525799) is 3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol is NCC(c1ccncc1)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol?
The InChIKey is JHAMNGCMBOESGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-10-1-2-11(13(16)7-10)14(19)12(8-17)9-3-5-18-6-4-9/h1-7,12,14,19H,8,17H2.
What are the key properties of 3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol?
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol has a molecular weight of 297.19 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 80525799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).