1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine

C16H23ClFN — CID 65001580

IUPAC1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine
SMILESCCC1(CC)CC(CNC)(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H23ClFN/c1-4-15(5-2)9-16(10-15,11-19-3)13-7-6-12(18)8-14(13)17/h6-8,19H,4-5,9-11H2,1-3H3
InChIKeyUQSDUZNJTDYUPU-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.54
Rot. Bonds5

About 1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine

1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine (PubChem CID 65001580) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine
PubChem CID65001580
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine
SMILESCCC1(CC)CC(CNC)(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H23ClFN/c1-4-15(5-2)9-16(10-15,11-19-3)13-7-6-12(18)8-14(13)17/h6-8,19H,4-5,9-11H2,1-3H3
InChIKeyUQSDUZNJTDYUPU-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine (CID 65001580) is 1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine is CCC1(CC)CC(CNC)(c2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine?
The InChIKey is UQSDUZNJTDYUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-4-15(5-2)9-16(10-15,11-19-3)13-7-6-12(18)8-14(13)17/h6-8,19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine?
1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine has a molecular weight of 283.82 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 65001580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).