1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine

C13H19Cl2NO — CID 62791896

IUPAC1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-3-7-16-13(6-8-17-2)11-9-10(14)4-5-12(11)15/h4-5,9,13,16H,3,6-8H2,1-2H3
InChIKeyWWDHGGITBWNODK-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.07
Rot. Bonds7

About 1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine

1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 62791896) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
PubChem CID62791896
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-3-7-16-13(6-8-17-2)11-9-10(14)4-5-12(11)15/h4-5,9,13,16H,3,6-8H2,1-2H3
InChIKeyWWDHGGITBWNODK-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
1-(2-chloro-4-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 106858855
2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
CID 83051537
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62791433
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
1-(3-chloro-4-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 115608743
5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine
CID 102928686

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine (CID 62791896) is 1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine is CCCNC(CCOC)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is WWDHGGITBWNODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-3-7-16-13(6-8-17-2)11-9-10(14)4-5-12(11)15/h4-5,9,13,16H,3,6-8H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine?
1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 62791896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).