3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine

C15H22ClNO — CID 66350520

IUPAC3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1OCc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-4-15(2)13(17-3)9-14(15)18-10-11-6-5-7-12(16)8-11/h5-8,13-14,17H,4,9-10H2,1-3H3
InChIKeyQUKLWYHHGXDAIF-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.63
Rot. Bonds5

About 3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 66350520) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID66350520
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1OCc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-4-15(2)13(17-3)9-14(15)18-10-11-6-5-7-12(16)8-11/h5-8,13-14,17H,4,9-10H2,1-3H3
InChIKeyQUKLWYHHGXDAIF-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 66350520) is 3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1OCc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is QUKLWYHHGXDAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-15(2)13(17-3)9-14(15)18-10-11-6-5-7-12(16)8-11/h5-8,13-14,17H,4,9-10H2,1-3H3.
What are the key properties of 3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66350520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).