1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol

C16H19ClN2O3 — CID 3324139

IUPAC1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol
SMILESCOc1cccc(N(C)CC(O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN2O3/c1-19(15-4-3-5-16(18-15)21-2)10-13(20)11-22-14-8-6-12(17)7-9-14/h3-9,13,20H,10-11H2,1-2H3
InChIKeyFFDDSSFIIWRTMM-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.62
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol

1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol (PubChem CID 3324139) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol
PubChem CID3324139
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol
SMILESCOc1cccc(N(C)CC(O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN2O3/c1-19(15-4-3-5-16(18-15)21-2)10-13(20)11-22-14-8-6-12(17)7-9-14/h3-9,13,20H,10-11H2,1-2H3
InChIKeyFFDDSSFIIWRTMM-UHFFFAOYSA-N
XLogP2.62
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol with MolForge

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Related Compounds

1-[(6-methoxy-2-pyridinyl)-methylamino]-3-prop-2-enoxypropan-2-ol
CID 74225968
(2S)-1-(4-chlorophenoxy)-3-[(3-methoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 93162109
1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 3786729
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63590609
1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol
CID 122548401
1-(4-chlorophenoxy)-3-[(3-methoxyphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 42682308
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 64828925
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
(2S)-1-(4-chlorophenoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 93162860
1-(4-chlorophenoxy)-3-[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]propan-2-ol
CID 46006759

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol (CID 3324139) is 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol is COc1cccc(N(C)CC(O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol?
The InChIKey is FFDDSSFIIWRTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-19(15-4-3-5-16(18-15)21-2)10-13(20)11-22-14-8-6-12(17)7-9-14/h3-9,13,20H,10-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol?
1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol has a molecular weight of 322.79 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol is sourced from PubChem (CID 3324139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).