1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol

C11H16Cl2N2O2 — CID 62140528

IUPAC1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
SMILESNCCNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2/c12-8-1-2-11(10(13)5-8)17-7-9(16)6-15-4-3-14/h1-2,5,9,15-16H,3-4,6-7,14H2
InChIKeyZVPSCWAMFRSDJG-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.28
Rot. Bonds7

About 1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol

1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol (PubChem CID 62140528) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
PubChem CID62140528
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
SMILESNCCNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2/c12-8-1-2-11(10(13)5-8)17-7-9(16)6-15-4-3-14/h1-2,5,9,15-16H,3-4,6-7,14H2
InChIKeyZVPSCWAMFRSDJG-UHFFFAOYSA-N
XLogP1.28
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626
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-ethoxyethylamino)propan-2-ol
CID 54938687
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632969
1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
CID 106401068
3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005905
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol?
The IUPAC name of 1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol (CID 62140528) is 1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol is NCCNCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol?
The InChIKey is ZVPSCWAMFRSDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2/c12-8-1-2-11(10(13)5-8)17-7-9(16)6-15-4-3-14/h1-2,5,9,15-16H,3-4,6-7,14H2.
What are the key properties of 1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol?
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol has a molecular weight of 279.17 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 62140528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).