2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol

C12H17Cl2NO2 — CID 65315602

IUPAC2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
SMILESCCC(NC(CO)CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-2-12(15-9(6-16)7-17)10-4-3-8(13)5-11(10)14/h3-5,9,12,15-17H,2,6-7H2,1H3
InChIKeyDVKUHXGXQIHWGJ-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.39
Rot. Bonds6

About 2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol

2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol (PubChem CID 65315602) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
PubChem CID65315602
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
SMILESCCC(NC(CO)CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-2-12(15-9(6-16)7-17)10-4-3-8(13)5-11(10)14/h3-5,9,12,15-17H,2,6-7H2,1H3
InChIKeyDVKUHXGXQIHWGJ-UHFFFAOYSA-N
XLogP2.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine
CID 43503451
methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
CID 60780834
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 81374924
3-[1-(2,4-dichlorophenyl)propylamino]butanamide
CID 113342534
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol
CID 103922444
3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol
CID 106114619
(2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol
CID 151807018
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol (CID 65315602) is 2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol is CCC(NC(CO)CO)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol?
The InChIKey is DVKUHXGXQIHWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-2-12(15-9(6-16)7-17)10-4-3-8(13)5-11(10)14/h3-5,9,12,15-17H,2,6-7H2,1H3.
What are the key properties of 2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol?
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol has a molecular weight of 278.18 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol is sourced from PubChem (CID 65315602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).