N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine

C11H16Cl2N2O — CID 79780092

IUPACN-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-3-4-14-10(7-16-2)11-9(13)5-8(12)6-15-11/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyYTROEEKUVJUDPE-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.08
Rot. Bonds6

About N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine

N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine (PubChem CID 79780092) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
PubChem CID79780092
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC NameN-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-3-4-14-10(7-16-2)11-9(13)5-8(12)6-15-11/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyYTROEEKUVJUDPE-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
CID 83161489
1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517384
N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79783884
N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine
CID 79779913
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine
CID 79016126
5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine
CID 65092647
1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine
CID 107506738
1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine
CID 79780789
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine
CID 102928686
N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 79784078

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine (CID 79780092) is N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine is CCCNC(COC)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine?
The InChIKey is YTROEEKUVJUDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-3-4-14-10(7-16-2)11-9(13)5-8(12)6-15-11/h5-6,10,14H,3-4,7H2,1-2H3.
What are the key properties of N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine?
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine has a molecular weight of 263.17 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine is sourced from PubChem (CID 79780092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).