1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine

C17H25FN2O2 — CID 164664251

IUPAC1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H25FN2O2/c1-13(19-12-15-3-2-8-22-15)14-4-5-17(16(18)11-14)20-6-9-21-10-7-20/h4-5,11,13,15,19H,2-3,6-10,12H2,1H3
InChIKeyKDBVEZHTCSOXNT-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.49
Rot. Bonds5

About 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine

1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 164664251) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID164664251
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H25FN2O2/c1-13(19-12-15-3-2-8-22-15)14-4-5-17(16(18)11-14)20-6-9-21-10-7-20/h4-5,11,13,15,19H,2-3,6-10,12H2,1H3
InChIKeyKDBVEZHTCSOXNT-UHFFFAOYSA-N
XLogP2.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 29038668
N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol
CID 29038908
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94616427
(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 95177713
(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
CID 90227685
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136737
1-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9257630
1-(3,4-difluorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907301
1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 82316272
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 164664251) is 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine is CC(NCC1CCCO1)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is KDBVEZHTCSOXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13(19-12-15-3-2-8-22-15)14-4-5-17(16(18)11-14)20-6-9-21-10-7-20/h4-5,11,13,15,19H,2-3,6-10,12H2,1H3.
What are the key properties of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 308.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 164664251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).