N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C16H23Cl2NO — CID 64853256

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCCc2ccc(Cl)cc2Cl)C1(C)C
InChIInChI=1S/C16H23Cl2NO/c1-4-20-15-10-14(16(15,2)3)19-8-7-11-5-6-12(17)9-13(11)18/h5-6,9,14-15,19H,4,7-8,10H2,1-3H3
InChIKeyDUOONRGWRMVTFF-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.33
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 64853256) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID64853256
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCCc2ccc(Cl)cc2Cl)C1(C)C
InChIInChI=1S/C16H23Cl2NO/c1-4-20-15-10-14(16(15,2)3)19-8-7-11-5-6-12(17)9-13(11)18/h5-6,9,14-15,19H,4,7-8,10H2,1-3H3
InChIKeyDUOONRGWRMVTFF-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 64853256) is N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCCc2ccc(Cl)cc2Cl)C1(C)C.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is DUOONRGWRMVTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-4-20-15-10-14(16(15,2)3)19-8-7-11-5-6-12(17)9-13(11)18/h5-6,9,14-15,19H,4,7-8,10H2,1-3H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 316.27 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64853256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).