N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine

C17H25FN2 — CID 106533016

IUPACN-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCCC1CCN(c2cc(F)cc(CNC3CC3)c2)C1
InChIInChI=1S/C17H25FN2/c1-2-3-13-6-7-20(12-13)17-9-14(8-15(18)10-17)11-19-16-4-5-16/h8-10,13,16,19H,2-7,11-12H2,1H3
InChIKeyRPWZSYFPSDJQFH-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.70
Rot. Bonds6

About N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 106533016) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID106533016
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCCC1CCN(c2cc(F)cc(CNC3CC3)c2)C1
InChIInChI=1S/C17H25FN2/c1-2-3-13-6-7-20(12-13)17-9-14(8-15(18)10-17)11-19-16-4-5-16/h8-10,13,16,19H,2-7,11-12H2,1H3
InChIKeyRPWZSYFPSDJQFH-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532790
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532828
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081336
N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 63552895
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533057
N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533080
N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533180
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
CID 106533112
N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533126

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine (CID 106533016) is N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine is CCCC1CCN(c2cc(F)cc(CNC3CC3)c2)C1.
What is the InChIKey of N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is RPWZSYFPSDJQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-2-3-13-6-7-20(12-13)17-9-14(8-15(18)10-17)11-19-16-4-5-16/h8-10,13,16,19H,2-7,11-12H2,1H3.
What are the key properties of N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 276.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).