N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine

C18H27FN2O — CID 84753547

IUPACN-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine
SMILESCC1CN(c2cc(CNC3CCCC3)ccc2F)CC(C)O1
InChIInChI=1S/C18H27FN2O/c1-13-11-21(12-14(2)22-13)18-9-15(7-8-17(18)19)10-20-16-5-3-4-6-16/h7-9,13-14,16,20H,3-6,10-12H2,1-2H3
InChIKeyNDWVDBCAMAYGCC-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.47
Rot. Bonds4

About N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine

N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine (PubChem CID 84753547) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine
PubChem CID84753547
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC NameN-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine
SMILESCC1CN(c2cc(CNC3CCCC3)ccc2F)CC(C)O1
InChIInChI=1S/C18H27FN2O/c1-13-11-21(12-14(2)22-13)18-9-15(7-8-17(18)19)10-20-16-5-3-4-6-16/h7-9,13-14,16,20H,3-6,10-12H2,1-2H3
InChIKeyNDWVDBCAMAYGCC-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine
CID 84753916
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84753903
N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84753551
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63051584
N-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine
CID 53217306
[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol
CID 102933693
1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid
CID 84753304
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81248799
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine (CID 84753547) is N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine is CC1CN(c2cc(CNC3CCCC3)ccc2F)CC(C)O1.
What is the InChIKey of N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine?
The InChIKey is NDWVDBCAMAYGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-13-11-21(12-14(2)22-13)18-9-15(7-8-17(18)19)10-20-16-5-3-4-6-16/h7-9,13-14,16,20H,3-6,10-12H2,1-2H3.
What are the key properties of N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine?
N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine has a molecular weight of 306.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine is sourced from PubChem (CID 84753547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).