N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine

C15H16Cl2N2 — CID 46044503

IUPACN-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H16Cl2N2/c1-3-19(2)10-11-6-13(9-18-8-11)12-4-5-14(16)15(17)7-12/h4-9H,3,10H2,1-2H3
InChIKeyGOMRLSXJQWRCKW-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.51
Rot. Bonds4

About N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine

N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine (PubChem CID 46044503) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine
PubChem CID46044503
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H16Cl2N2/c1-3-19(2)10-11-6-13(9-18-8-11)12-4-5-14(16)15(17)7-12/h4-9H,3,10H2,1-2H3
InChIKeyGOMRLSXJQWRCKW-UHFFFAOYSA-N
XLogP4.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine?
The IUPAC name of N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine (CID 46044503) is N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine is CCN(C)Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine?
The InChIKey is GOMRLSXJQWRCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-3-19(2)10-11-6-13(9-18-8-11)12-4-5-14(16)15(17)7-12/h4-9H,3,10H2,1-2H3.
What are the key properties of N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine?
N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine is sourced from PubChem (CID 46044503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).