N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine

C17H25FN2 — CID 60856023

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCCN1CCC(CNC2CC(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C17H25FN2/c1-2-20-8-7-13(12-20)11-19-17-9-15(10-17)14-3-5-16(18)6-4-14/h3-6,13,15,17,19H,2,7-12H2,1H3
InChIKeyOIJUTKHGSXNHKP-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.00
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine (PubChem CID 60856023) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
PubChem CID60856023
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCCN1CCC(CNC2CC(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C17H25FN2/c1-2-20-8-7-13(12-20)11-19-17-9-15(10-17)14-3-5-16(18)6-4-14/h3-6,13,15,17,19H,2,7-12H2,1H3
InChIKeyOIJUTKHGSXNHKP-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 61206988
N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
CID 83996965
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60856193
1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 125447400
N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 60855683
N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 79731365
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 60856879
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine
CID 60856525
3-(2-fluorophenyl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine
CID 124698420
1-(1-ethylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 166673507
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 115761800

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine (CID 60856023) is N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine is CCN1CCC(CNC2CC(c3ccc(F)cc3)C2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The InChIKey is OIJUTKHGSXNHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-2-20-8-7-13(12-20)11-19-17-9-15(10-17)14-3-5-16(18)6-4-14/h3-6,13,15,17,19H,2,7-12H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 60856023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).