3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine

C12H16ClNO — CID 66357505

IUPAC3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO/c1-2-14-9-7-10(8-9)15-12-6-4-3-5-11(12)13/h3-6,9-10,14H,2,7-8H2,1H3
InChIKeyVDAFGEMSQOONEA-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.86
Rot. Bonds4

About 3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine

3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine (PubChem CID 66357505) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
PubChem CID66357505
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO/c1-2-14-9-7-10(8-9)15-12-6-4-3-5-11(12)13/h3-6,9-10,14H,2,7-8H2,1H3
InChIKeyVDAFGEMSQOONEA-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 79618026
4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 141084041
N-ethyl-3-(2-propoxyphenoxy)cyclobutan-1-amine
CID 66359384
3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine
CID 107662318
3-(2-chlorophenoxy)cyclobutan-1-amine
CID 66356902
methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate
CID 134430249
3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine
CID 66358499
3-(3-chloro-4-fluorophenoxy)-N-ethylcyclobutan-1-amine
CID 66351585
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63499642
3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine
CID 115403047

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine (CID 66357505) is 3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine is CCNC1CC(Oc2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine?
The InChIKey is VDAFGEMSQOONEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-14-9-7-10(8-9)15-12-6-4-3-5-11(12)13/h3-6,9-10,14H,2,7-8H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine?
3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine is sourced from PubChem (CID 66357505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).