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

C11H16Cl2N2O2 — CID 57053992

IUPAC1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol
SMILESCC(N)NC(Oc1cccc(Cl)c1Cl)C(C)O
InChIInChI=1S/C11H16Cl2N2O2/c1-6(16)11(15-7(2)14)17-9-5-3-4-8(12)10(9)13/h3-7,11,15-16H,14H2,1-2H3
InChIKeyCHXKRQUDERUQNK-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.97
Rot. Bonds5

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

1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol (PubChem CID 57053992) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol
PubChem CID57053992
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol
SMILESCC(N)NC(Oc1cccc(Cl)c1Cl)C(C)O
InChIInChI=1S/C11H16Cl2N2O2/c1-6(16)11(15-7(2)14)17-9-5-3-4-8(12)10(9)13/h3-7,11,15-16H,14H2,1-2H3
InChIKeyCHXKRQUDERUQNK-UHFFFAOYSA-N
XLogP1.97
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
1-(1-bromoethoxy)-2,3-dichlorobenzene
CID 67903309
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
CID 60624707
2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 62451787
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
(2R)-N-(2-amino-2-oxoethyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide
CID 94207958
1-[[2-amino-2-(2,6-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol
CID 175391069
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol?
The IUPAC name of 1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol (CID 57053992) is 1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol is CC(N)NC(Oc1cccc(Cl)c1Cl)C(C)O.
What is the InChIKey of 1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol?
The InChIKey is CHXKRQUDERUQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2/c1-6(16)11(15-7(2)14)17-9-5-3-4-8(12)10(9)13/h3-7,11,15-16H,14H2,1-2H3.
What are the key properties of 1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol?
1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol has a molecular weight of 279.17 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethylamino)-1-(2,3-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 57053992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).