1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine

C13H20Cl2N2 — CID 63202230

IUPAC1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ncc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C13H20Cl2N2/c1-4-5-16-12(9(2)3)7-13-11(15)6-10(14)8-17-13/h6,8-9,12,16H,4-5,7H2,1-3H3
InChIKeyFXYZYVPZBGGFJV-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.96
Rot. Bonds6

About 1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine

1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine (PubChem CID 63202230) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine
PubChem CID63202230
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ncc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C13H20Cl2N2/c1-4-5-16-12(9(2)3)7-13-11(15)6-10(14)8-17-13/h6,8-9,12,16H,4-5,7H2,1-3H3
InChIKeyFXYZYVPZBGGFJV-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 55162001
1-(3-chloro-4-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 103039834
1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 63354877
1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine
CID 63202281
1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
CID 83161489
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine
CID 63202183
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 79780092
1-(3,5-dimethylphenyl)-3-methyl-N-propylbutan-2-amine
CID 61028769
N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79783884
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine (CID 63202230) is 1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1ncc(Cl)cc1Cl)C(C)C.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine?
The InChIKey is FXYZYVPZBGGFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-4-5-16-12(9(2)3)7-13-11(15)6-10(14)8-17-13/h6,8-9,12,16H,4-5,7H2,1-3H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine?
1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine has a molecular weight of 275.22 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 63202230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).