N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine

C15H22FN — CID 104859634

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(c2ccc(F)cc2)C(C)C)C1
InChIInChI=1S/C15H22FN/c1-10(2)15(17-14-8-11(3)9-14)12-4-6-13(16)7-5-12/h4-7,10-11,14-15,17H,8-9H2,1-3H3
InChIKeyNVPQGAUIDXKODV-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine (PubChem CID 104859634) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine
PubChem CID104859634
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(c2ccc(F)cc2)C(C)C)C1
InChIInChI=1S/C15H22FN/c1-10(2)15(17-14-8-11(3)9-14)12-4-6-13(16)7-5-12/h4-7,10-11,14-15,17H,8-9H2,1-3H3
InChIKeyNVPQGAUIDXKODV-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine (CID 104859634) is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine is CC1CC(NC(c2ccc(F)cc2)C(C)C)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine?
The InChIKey is NVPQGAUIDXKODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10(2)15(17-14-8-11(3)9-14)12-4-6-13(16)7-5-12/h4-7,10-11,14-15,17H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine?
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 104859634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).