3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

C18H27FN2 — CID 61206988

IUPAC3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCC(C)N1CCC(CNC2CC(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H27FN2/c1-13(2)21-8-7-14(12-21)11-20-18-9-16(10-18)15-3-5-17(19)6-4-15/h3-6,13-14,16,18,20H,7-12H2,1-2H3
InChIKeyRUQUJBRCYZJHLF-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.39
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 61206988) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
PubChem CID61206988
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCC(C)N1CCC(CNC2CC(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H27FN2/c1-13(2)21-8-7-14(12-21)11-20-18-9-16(10-18)15-3-5-17(19)6-4-15/h3-6,13-14,16,18,20H,7-12H2,1-2H3
InChIKeyRUQUJBRCYZJHLF-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 60856023
(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 166826823
1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 114829496
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183
N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
CID 83996965
3-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 64501124
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470
N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513787
1-cyclopropyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62980807
3-(4-fluorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83143109
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (CID 61206988) is 3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is CC(C)N1CCC(CNC2CC(c3ccc(F)cc3)C2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is RUQUJBRCYZJHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-13(2)21-8-7-14(12-21)11-20-18-9-16(10-18)15-3-5-17(19)6-4-15/h3-6,13-14,16,18,20H,7-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 61206988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).