1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine

C15H16Cl2N2 — CID 79780724

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-10-5-3-4-6-11(10)7-14(18-2)15-13(17)8-12(16)9-19-15/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyXGQPRTFSLNSZRZ-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.20
Rot. Bonds4

About 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine

1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine (PubChem CID 79780724) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine
PubChem CID79780724
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNC(Cc1ccccc1C)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-10-5-3-4-6-11(10)7-14(18-2)15-13(17)8-12(16)9-19-15/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyXGQPRTFSLNSZRZ-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-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808
2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 79780467
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 63527757
2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783709
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050226
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 106868740
N-methyl-2-(2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 63417370
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 43486785
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine
CID 79779895

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine (CID 79780724) is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine is CNC(Cc1ccccc1C)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine?
The InChIKey is XGQPRTFSLNSZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-10-5-3-4-6-11(10)7-14(18-2)15-13(17)8-12(16)9-19-15/h3-6,8-9,14,18H,7H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine?
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)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-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 79780724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).