1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine

C13H19Cl2N — CID 114978392

IUPAC1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C13H19Cl2N/c1-4-8-16-13(9(2)3)12-10(14)6-5-7-11(12)15/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyGZVOIQWGDWGOQV-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.69
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine

1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 114978392) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID114978392
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C13H19Cl2N/c1-4-8-16-13(9(2)3)12-10(14)6-5-7-11(12)15/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyGZVOIQWGDWGOQV-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448152
N,N'-dibutyl-1,2-bis(2,6-dichlorophenyl)ethane-1,2-diamine;dihydrochloride
CID 45264163
1-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105017578
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 79444566
1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
CID 114978573
1-(2,6-dichlorophenyl)-N-propylnonan-1-amine
CID 115835319
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494722
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978904
1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine
CID 115851225
1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 115567963
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine (CID 114978392) is 1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1c(Cl)cccc1Cl)C(C)C.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is GZVOIQWGDWGOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-8-16-13(9(2)3)12-10(14)6-5-7-11(12)15/h5-7,9,13,16H,4,8H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 114978392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).