1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol

C15H19Cl2N3O2 — CID 167880911

IUPAC1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol
SMILESCn1cnc(CCNCC(O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c1-20-8-12(19-10-20)4-5-18-7-13(21)9-22-15-3-2-11(16)6-14(15)17/h2-3,6,8,10,13,18,21H,4-5,7,9H2,1H3
InChIKeyQJTFNIZWEGQZDD-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.30
Rot. Bonds8

About 1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol

1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol (PubChem CID 167880911) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol
PubChem CID167880911
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol
SMILESCn1cnc(CCNCC(O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c1-20-8-12(19-10-20)4-5-18-7-13(21)9-22-15-3-2-11(16)6-14(15)17/h2-3,6,8,10,13,18,21H,4-5,7,9H2,1H3
InChIKeyQJTFNIZWEGQZDD-UHFFFAOYSA-N
XLogP2.30
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
CID 106401068
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043126
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
CID 66185309
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol (CID 167880911) is 1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol is Cn1cnc(CCNCC(O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is QJTFNIZWEGQZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-20-8-12(19-10-20)4-5-18-7-13(21)9-22-15-3-2-11(16)6-14(15)17/h2-3,6,8,10,13,18,21H,4-5,7,9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol?
1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 344.24 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 167880911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).