N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C11H18ClN3O — CID 79841429

IUPACN'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)c1ccncc1Cl
InChIInChI=1S/C11H18ClN3O/c1-15(7-5-13-6-8-16-2)11-3-4-14-9-10(11)12/h3-4,9,13H,5-8H2,1-2H3
InChIKeyDSANKSGPQQCPJG-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.41
Rot. Bonds7

About N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 79841429) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID79841429
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)c1ccncc1Cl
InChIInChI=1S/C11H18ClN3O/c1-15(7-5-13-6-8-16-2)11-3-4-14-9-10(11)12/h3-4,9,13H,5-8H2,1-2H3
InChIKeyDSANKSGPQQCPJG-UHFFFAOYSA-N
XLogP1.41
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N'-methyl-N'-pyridin-2-ylethane-1,2-diamine
CID 62588167
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62769885
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
3-[(3-chloro-4-pyridinyl)-methylamino]propanethioamide
CID 79840987
N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 66320006
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 62959481
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine
CID 79841040
N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 63872311
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 171335993
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 81144537

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 79841429) is N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCNCCN(C)c1ccncc1Cl.
What is the InChIKey of N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is DSANKSGPQQCPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-15(7-5-13-6-8-16-2)11-3-4-14-9-10(11)12/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 243.74 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79841429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).