N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid

C17H19ClN2O4 — CID 17384898

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
SMILESCN(CCc1ccccn1)Cc1ccc(Cl)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H17ClN2.C2H2O4/c1-18(11-9-15-4-2-3-10-17-15)12-13-5-7-14(16)8-6-13;3-1(4)2(5)6/h2-8,10H,9,11-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyHOYCAXAADDSWGO-UHFFFAOYSA-N
MW350.80 g/mol
LogP2.57
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid

N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid (PubChem CID 17384898) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
PubChem CID17384898
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
SMILESCN(CCc1ccccn1)Cc1ccc(Cl)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H17ClN2.C2H2O4/c1-18(11-9-15-4-2-3-10-17-15)12-13-5-7-14(16)8-6-13;3-1(4)2(5)6/h2-8,10H,9,11-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyHOYCAXAADDSWGO-UHFFFAOYSA-N
XLogP2.57
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid (CID 17384898) is N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid is CN(CCc1ccccn1)Cc1ccc(Cl)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
The InChIKey is HOYCAXAADDSWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2.C2H2O4/c1-18(11-9-15-4-2-3-10-17-15)12-13-5-7-14(16)8-6-13;3-1(4)2(5)6/h2-8,10H,9,11-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid has a molecular weight of 350.80 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid is sourced from PubChem (CID 17384898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).