2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine

C14H14Cl2N2 — CID 105096581

IUPAC2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1ccncc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-17-14(11-6-7-18-9-13(11)16)8-10-4-2-3-5-12(10)15/h2-7,9,14,17H,8H2,1H3
InChIKeyWXVSGGPDSVAKBR-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine

2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine (PubChem CID 105096581) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
PubChem CID105096581
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1ccncc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-17-14(11-6-7-18-9-13(11)16)8-10-4-2-3-5-12(10)15/h2-7,9,14,17H,8H2,1H3
InChIKeyWXVSGGPDSVAKBR-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine
CID 105158118
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106854830
1-(1-benzothiophen-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 115984876
2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 61079847
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
[1-(2-chlorophenyl)-2-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105211070
1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105133902

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine (CID 105096581) is 2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine is CNC(Cc1ccccc1Cl)c1ccncc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine?
The InChIKey is WXVSGGPDSVAKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-17-14(11-6-7-18-9-13(11)16)8-10-4-2-3-5-12(10)15/h2-7,9,14,17H,8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine?
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine has a molecular weight of 281.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105096581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).