3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine

C14H20FN — CID 156864641

IUPAC3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(F)c(C(C)C)c2)C1
InChIInChI=1S/C14H20FN/c1-9(2)13-8-10(4-5-14(13)15)11-6-12(7-11)16-3/h4-5,8-9,11-12,16H,6-7H2,1-3H3
InChIKeyKDKRTOYTXPQCFV-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.41
Rot. Bonds3

About 3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine

3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine (PubChem CID 156864641) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine
PubChem CID156864641
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(F)c(C(C)C)c2)C1
InChIInChI=1S/C14H20FN/c1-9(2)13-8-10(4-5-14(13)15)11-6-12(7-11)16-3/h4-5,8-9,11-12,16H,6-7H2,1-3H3
InChIKeyKDKRTOYTXPQCFV-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine (CID 156864641) is 3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine is CNC1CC(c2ccc(F)c(C(C)C)c2)C1.
What is the InChIKey of 3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine?
The InChIKey is KDKRTOYTXPQCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-9(2)13-8-10(4-5-14(13)15)11-6-12(7-11)16-3/h4-5,8-9,11-12,16H,6-7H2,1-3H3.
What are the key properties of 3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine?
3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 156864641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).