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

C12H18Cl2N2O2 — CID 62275385

IUPAC1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
SMILESNCCCNCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O2/c13-11-3-2-10(6-12(11)14)18-8-9(17)7-16-5-1-4-15/h2-3,6,9,16-17H,1,4-5,7-8,15H2
InChIKeyKAVYXCWIAMGGTN-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.67
Rot. Bonds8

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

1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol (PubChem CID 62275385) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
PubChem CID62275385
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
SMILESNCCCNCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O2/c13-11-3-2-10(6-12(11)14)18-8-9(17)7-16-5-1-4-15/h2-3,6,9,16-17H,1,4-5,7-8,15H2
InChIKeyKAVYXCWIAMGGTN-UHFFFAOYSA-N
XLogP1.67
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.67
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-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938962
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209571
N'-[2-(3,4-dichlorophenoxy)ethyl]propane-1,3-diamine
CID 2977619
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide
CID 60900938
N-[2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl]acetamide
CID 60632295
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174321
1-(3,4-dichlorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291336
1-(4-chloro-3-methylphenoxy)-3-(3-methoxypropylamino)propan-2-ol
CID 60633816
4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol
CID 118334706
1-(4-chloro-3-methylphenoxy)-3-(3-methylsulfanylpropylamino)propan-2-ol
CID 63966916
4-[(2S)-3-[2-(3,4-dichlorophenyl)ethylamino]-2-hydroxypropoxy]-2-fluorophenol
CID 67249841

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol?
The IUPAC name of 1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol (CID 62275385) is 1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol is NCCCNCC(O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol?
The InChIKey is KAVYXCWIAMGGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2/c13-11-3-2-10(6-12(11)14)18-8-9(17)7-16-5-1-4-15/h2-3,6,9,16-17H,1,4-5,7-8,15H2.
What are the key properties of 1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol?
1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol has a molecular weight of 293.19 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 62275385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).