2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine

C10H12Cl2N2 — CID 79167174

IUPAC2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
SMILESCc1cccnc1CNCC(Cl)=CCl
InChIInChI=1S/C10H12Cl2N2/c1-8-3-2-4-14-10(8)7-13-6-9(12)5-11/h2-5,13H,6-7H2,1H3
InChIKeyPBHMWBSVKAIISS-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.80
Rot. Bonds4

About 2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine

2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine (PubChem CID 79167174) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
PubChem CID79167174
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
SMILESCc1cccnc1CNCC(Cl)=CCl
InChIInChI=1S/C10H12Cl2N2/c1-8-3-2-4-14-10(8)7-13-6-9(12)5-11/h2-5,13H,6-7H2,1H3
InChIKeyPBHMWBSVKAIISS-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
N-(2,6-dichlorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306342
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306550
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306625
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180
1-(3-methylcyclopentyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 107412827
3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol
CID 63305798
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol
CID 81419845
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305597
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112640127
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine (CID 79167174) is 2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine is Cc1cccnc1CNCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine?
The InChIKey is PBHMWBSVKAIISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-8-3-2-4-14-10(8)7-13-6-9(12)5-11/h2-5,13H,6-7H2,1H3.
What are the key properties of 2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine?
2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine has a molecular weight of 231.13 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 79167174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).