N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine

C17H25FN2O — CID 107455188

IUPACN-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
SMILESCOCC1CCN(Cc2cc(CNC3CC3)ccc2F)C1
InChIInChI=1S/C17H25FN2O/c1-21-12-14-6-7-20(10-14)11-15-8-13(2-5-17(15)18)9-19-16-3-4-16/h2,5,8,14,16,19H,3-4,6-7,9-12H2,1H3
InChIKeyYYBGVFQEDCLCGT-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.55
Rot. Bonds7

About N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine

N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 107455188) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
PubChem CID107455188
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
SMILESCOCC1CCN(Cc2cc(CNC3CC3)ccc2F)C1
InChIInChI=1S/C17H25FN2O/c1-21-12-14-6-7-20(10-14)11-15-8-13(2-5-17(15)18)9-19-16-3-4-16/h2,5,8,14,16,19H,3-4,6-7,9-12H2,1H3
InChIKeyYYBGVFQEDCLCGT-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
N-[[4-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 106316895
1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453627
N-[[4-fluoro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107455247
N-[[3-bromo-4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539667
N-[[3-bromo-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propan-1-amine
CID 102771307
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
CID 64570029
N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107456438
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454466
4-fluoro-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 63973088

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine (CID 107455188) is N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine is COCC1CCN(Cc2cc(CNC3CC3)ccc2F)C1.
What is the InChIKey of N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is YYBGVFQEDCLCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-12-14-6-7-20(10-14)11-15-8-13(2-5-17(15)18)9-19-16-3-4-16/h2,5,8,14,16,19H,3-4,6-7,9-12H2,1H3.
What are the key properties of N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine?
N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 292.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107455188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).