[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine

C16H24FN3O — CID 64768136

IUPAC[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(F)cc1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H24FN3O/c17-15-2-1-13(10-18)14(9-15)11-19-4-3-16(12-19)20-5-7-21-8-6-20/h1-2,9,16H,3-8,10-12,18H2
InChIKeyRBWBGSYTDLNMTO-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.19
Rot. Bonds4

About [4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine

[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine (PubChem CID 64768136) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is [4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
PubChem CID64768136
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(F)cc1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H24FN3O/c17-15-2-1-13(10-18)14(9-15)11-19-4-3-16(12-19)20-5-7-21-8-6-20/h1-2,9,16H,3-8,10-12,18H2
InChIKeyRBWBGSYTDLNMTO-UHFFFAOYSA-N
XLogP1.19
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 64768324
[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 55158772
[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 66393414
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine
CID 63170781
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
CID 64570029
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]morpholine
CID 172905616
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-fluoroaniline
CID 79931916

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine (CID 64768136) is [4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine is NCc1ccc(F)cc1CN1CCC(N2CCOCC2)C1.
What is the InChIKey of [4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is RBWBGSYTDLNMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-15-2-1-13(10-18)14(9-15)11-19-4-3-16(12-19)20-5-7-21-8-6-20/h1-2,9,16H,3-8,10-12,18H2.
What are the key properties of [4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 293.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 64768136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).