1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine

C15H16Cl2N2 — CID 66446677

IUPAC1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ncccc1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-10-4-3-7-19-14(10)9-15(18-2)11-5-6-12(16)13(17)8-11/h3-8,15,18H,9H2,1-2H3
InChIKeyVKVPUCNKQZJDMG-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.20
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine

1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66446677) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66446677
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ncccc1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-10-4-3-7-19-14(10)9-15(18-2)11-5-6-12(16)13(17)8-11/h3-8,15,18H,9H2,1-2H3
InChIKeyVKVPUCNKQZJDMG-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446099
1-(3,4-difluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446480
1-(4-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447073
1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447248
1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447661
2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
CID 66458987
1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446680
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
2-[2-bromo-2-(3-chloro-4-iodophenyl)ethyl]-3-methylpyridine
CID 103222629
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 106866146
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine (CID 66446677) is 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine is CNC(Cc1ncccc1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is VKVPUCNKQZJDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-10-4-3-7-19-14(10)9-15(18-2)11-5-6-12(16)13(17)8-11/h3-8,15,18H,9H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66446677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).