N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid

C16H24ClNO7 — CID 2869738

IUPACN-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
SMILESCOCCNCCOCCOc1ccc(Cl)c(C)c1.O=C(O)C(=O)O
InChIInChI=1S/C14H22ClNO3.C2H2O4/c1-12-11-13(3-4-14(12)15)19-10-9-18-8-6-16-5-7-17-2;3-1(4)2(5)6/h3-4,11,16H,5-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyCEFMHHIKDGQSFV-UHFFFAOYSA-N
MW377.82 g/mol
LogP1.44
Rot. Bonds10

About N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid

N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid (PubChem CID 2869738) has the molecular formula C16H24ClNO7 and a molecular weight of 377.82 g/mol. Its IUPAC name is N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid.

Molecular Properties

Compound NameN-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
PubChem CID2869738
Molecular FormulaC16H24ClNO7
Molecular Weight377.82 g/mol
Exact Mass377.12
IUPAC NameN-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
SMILESCOCCNCCOCCOc1ccc(Cl)c(C)c1.O=C(O)C(=O)O
InChIInChI=1S/C14H22ClNO3.C2H2O4/c1-12-11-13(3-4-14(12)15)19-10-9-18-8-6-16-5-7-17-2;3-1(4)2(5)6/h3-4,11,16H,5-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyCEFMHHIKDGQSFV-UHFFFAOYSA-N
XLogP1.44
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

MCPA-dimethylammonium
CID 62420
2-(4-chloro-3-methylphenoxy)-N-isopropylacetamide
CID 883710
2-(4-Chloro-3-methylphenoxy)acetic acid
CID 95696
Mecoprop diolamine salt
CID 62405
1-Amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 3387132
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 2183921
2-{[5-(4-Chloro-3-methylphenoxy)pentyl]amino}ethanol
CID 2250588
Cambridge id 5735273
CID 2262399
[2-(2-Allyl-4-chlorophenoxy)ethyl](2-methoxyethyl)amine oxalate
CID 2922228
N-{2-[2-(2-tert-butyl-4-chlorophenoxy)ethoxy]ethyl}-2-methyl-2-propanamine oxalate
CID 2922498
2-{[4-(3-Ethylphenoxy)butyl]amino}ethanol ethanedioate (salt)
CID 2923988
CID 2924169
CID 2924169

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
The IUPAC name of N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid (CID 2869738) is N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid.
What is the SMILES notation for N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
The canonical SMILES for N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid is COCCNCCOCCOc1ccc(Cl)c(C)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
The InChIKey is CEFMHHIKDGQSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3.C2H2O4/c1-12-11-13(3-4-14(12)15)19-10-9-18-8-6-16-5-7-17-2;3-1(4)2(5)6/h3-4,11,16H,5-10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid has a molecular weight of 377.82 g/mol, XLogP of 1.44, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid is sourced from PubChem (CID 2869738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).