2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid

C20H31NO5 — CID 15945590

IUPAC2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid
SMILESCc1ccccc1C(OCCN(C)C)C1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO.C2H2O4/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;3-1(4)2(5)6/h7-9,12,16,18H,4-6,10-11,13-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyYIQZBRNMTBQHIU-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.35
Rot. Bonds6

About 2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid

2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid (PubChem CID 15945590) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid.

Molecular Properties

Compound Name2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid
PubChem CID15945590
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Name2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid
SMILESCc1ccccc1C(OCCN(C)C)C1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO.C2H2O4/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;3-1(4)2(5)6/h7-9,12,16,18H,4-6,10-11,13-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyYIQZBRNMTBQHIU-UHFFFAOYSA-N
XLogP3.35
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.35
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 2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid?
The IUPAC name of 2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid (CID 15945590) is 2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid.
What is the SMILES notation for 2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid?
The canonical SMILES for 2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid is Cc1ccccc1C(OCCN(C)C)C1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of 2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid?
The InChIKey is YIQZBRNMTBQHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.C2H2O4/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;3-1(4)2(5)6/h7-9,12,16,18H,4-6,10-11,13-14H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid?
2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid has a molecular weight of 365.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(2-methylphenyl)methoxy]-N,N-dimethylethanamine;oxalic acid is sourced from PubChem (CID 15945590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).