N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C19H30FN — CID 65004022

IUPACN-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCCC1(CC)CC(CNC(C)(C)C)(c2ccccc2F)C1
InChIInChI=1S/C19H30FN/c1-6-18(7-2)12-19(13-18,14-21-17(3,4)5)15-10-8-9-11-16(15)20/h8-11,21H,6-7,12-14H2,1-5H3
InChIKeyQIGNJPHQGIXDSB-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.05
Rot. Bonds5

About N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 65004022) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID65004022
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCCC1(CC)CC(CNC(C)(C)C)(c2ccccc2F)C1
InChIInChI=1S/C19H30FN/c1-6-18(7-2)12-19(13-18,14-21-17(3,4)5)15-10-8-9-11-16(15)20/h8-11,21H,6-7,12-14H2,1-5H3
InChIKeyQIGNJPHQGIXDSB-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 65004022) is N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is CCC1(CC)CC(CNC(C)(C)C)(c2ccccc2F)C1.
What is the InChIKey of N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QIGNJPHQGIXDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-6-18(7-2)12-19(13-18,14-21-17(3,4)5)15-10-8-9-11-16(15)20/h8-11,21H,6-7,12-14H2,1-5H3.
What are the key properties of N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,3-diethyl-1-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65004022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).