4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid

C15H21Cl2NO5 — CID 2934086

IUPAC4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
SMILESCc1cc(Cl)cc(Cl)c1OCCCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C13H19Cl2NO.C2H2O4/c1-10-8-11(14)9-12(15)13(10)17-7-5-4-6-16(2)3;3-1(4)2(5)6/h8-9H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyHDQQUVVRSFKXRO-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.18
Rot. Bonds6

About 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid

4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid (PubChem CID 2934086) has the molecular formula C15H21Cl2NO5 and a molecular weight of 366.24 g/mol. Its IUPAC name is 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid.

Molecular Properties

Compound Name4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
PubChem CID2934086
Molecular FormulaC15H21Cl2NO5
Molecular Weight366.24 g/mol
Exact Mass365.08
IUPAC Name4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
SMILESCc1cc(Cl)cc(Cl)c1OCCCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C13H19Cl2NO.C2H2O4/c1-10-8-11(14)9-12(15)13(10)17-7-5-4-6-16(2)3;3-1(4)2(5)6/h8-9H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyHDQQUVVRSFKXRO-UHFFFAOYSA-N
XLogP3.18
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[2-(2-Chloro-6-methylphenoxy)ethyl]pyrrolidine oxalate
CID 2847238
[2-(2-Chloro-4,6-dimethylphenoxy)ethyl]dimethylamine oxalate
CID 2934973
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986840
N-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986854
N-[2-[3,5-dichloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986855
N-[2-[5-chloro-2-(3-phenylpropoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986865
N,N-di-n-propyl-4-[5-chloro-2-(2-phenylethoxy)phenyl]butylamine oxalate
CID 18986873
4-[3-(2-Chloro-6-methylphenoxy)propyl]morpholine oxalate
CID 2853099
[2-(2-Allyl-4-chlorophenoxy)ethyl]dimethylamine oxalate
CID 2936055
{2-[2-(2-Allyl-4-chlorophenoxy)ethoxy]ethyl}dimethylamine oxalate
CID 2936109
1-(2-(2,4-Dichloro-6-methylphenoxy)ethyl)pyrrolidine
CID 869435
2,4-Dichloro-6-methylphenoxyacetic acid
CID 99163

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid?
The IUPAC name of 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid (CID 2934086) is 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid.
What is the SMILES notation for 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid?
The canonical SMILES for 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid is Cc1cc(Cl)cc(Cl)c1OCCCCN(C)C.O=C(O)C(=O)O.
What is the InChIKey of 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid?
The InChIKey is HDQQUVVRSFKXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO.C2H2O4/c1-10-8-11(14)9-12(15)13(10)17-7-5-4-6-16(2)3;3-1(4)2(5)6/h8-9H,4-7H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid?
4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid has a molecular weight of 366.24 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine;oxalic acid is sourced from PubChem (CID 2934086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).