1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol

C15H16Cl2N2O2 — CID 60633675

IUPAC1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccncc1)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O2/c16-12-1-2-14(17)15(7-12)21-10-13(20)9-19-8-11-3-5-18-6-4-11/h1-7,13,19-20H,8-10H2
InChIKeyRQLFXTUMPSUYJT-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.92
Rot. Bonds7

About 1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol

1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol (PubChem CID 60633675) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol
PubChem CID60633675
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccncc1)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O2/c16-12-1-2-14(17)15(7-12)21-10-13(20)9-19-8-11-3-5-18-6-4-11/h1-7,13,19-20H,8-10H2
InChIKeyRQLFXTUMPSUYJT-UHFFFAOYSA-N
XLogP2.92
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398329
1-(2,5-dichlorophenoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014593
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
CID 60635678
3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111839
1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111114875
2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909766
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol (CID 60633675) is 1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol is OC(CNCc1ccncc1)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol?
The InChIKey is RQLFXTUMPSUYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c16-12-1-2-14(17)15(7-12)21-10-13(20)9-19-8-11-3-5-18-6-4-11/h1-7,13,19-20H,8-10H2.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol?
1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol has a molecular weight of 327.21 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60633675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).