1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride

C10H12Cl3NO — CID 67818207

IUPAC1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(Oc2cccc(Cl)c2Cl)CCC1
InChIInChI=1S/C10H11Cl2NO.ClH/c11-7-3-1-4-8(9(7)12)14-10(13)5-2-6-10;/h1,3-4H,2,5-6,13H2;1H
InChIKeyIMJYDZASMXLDDD-UHFFFAOYSA-N
MW268.57 g/mol
LogP3.63
Rot. Bonds2

About 1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride

1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride (PubChem CID 67818207) has the molecular formula C10H12Cl3NO and a molecular weight of 268.57 g/mol. Its IUPAC name is 1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride
PubChem CID67818207
Molecular FormulaC10H12Cl3NO
Molecular Weight268.57 g/mol
Exact Mass267.00
IUPAC Name1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(Oc2cccc(Cl)c2Cl)CCC1
InChIInChI=1S/C10H11Cl2NO.ClH/c11-7-3-1-4-8(9(7)12)14-10(13)5-2-6-10;/h1,3-4H,2,5-6,13H2;1H
InChIKeyIMJYDZASMXLDDD-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-Dichlorodiphenyl ether
CID 34304
N-[3-(2,3-dichlorophenoxy)propyl]-1-butanamine
CID 2248430
2-(2,3-dichlorophenoxy)-N-methylethanamine
CID 9859280
2-(2,3-Dichlorophenoxy)acetonitrile
CID 19736209
2,3-Dichlorophenol, n-butyl ether
CID 53950701
1,2-Dichloro-3-propoxybenzene
CID 86810504
1,2-Dichloro-3-ethoxybenzene
CID 10420061
2,2',3-Trichlorodiphenyl ether
CID 53952258
(Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine
CID 58852392
2-[(2,3-Dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine
CID 72444196
2,3,3'-Trichlorodiphenyl ether
CID 72941852
Benzene, 1,2-dichloro-3-(2-propenyloxy)-
CID 637359

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride (CID 67818207) is 1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride is Cl.NC1(Oc2cccc(Cl)c2Cl)CCC1.
What is the InChIKey of 1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride?
The InChIKey is IMJYDZASMXLDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO.ClH/c11-7-3-1-4-8(9(7)12)14-10(13)5-2-6-10;/h1,3-4H,2,5-6,13H2;1H.
What are the key properties of 1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride?
1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride has a molecular weight of 268.57 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenoxy)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 67818207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).