2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide

C19H22FN3O3 — CID 74240763

IUPAC2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide
SMILESNCCC1CN(C(=O)Nc2ccccc2Oc2ccc(F)cc2)CCO1
InChIInChI=1S/C19H22FN3O3/c20-14-5-7-15(8-6-14)26-18-4-2-1-3-17(18)22-19(24)23-11-12-25-16(13-23)9-10-21/h1-8,16H,9-13,21H2,(H,22,24)
InChIKeyLKJKMUBEVNAFMY-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.20
Rot. Bonds5

About 2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide

2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide (PubChem CID 74240763) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide
PubChem CID74240763
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide
SMILESNCCC1CN(C(=O)Nc2ccccc2Oc2ccc(F)cc2)CCO1
InChIInChI=1S/C19H22FN3O3/c20-14-5-7-15(8-6-14)26-18-4-2-1-3-17(18)22-19(24)23-11-12-25-16(13-23)9-10-21/h1-8,16H,9-13,21H2,(H,22,24)
InChIKeyLKJKMUBEVNAFMY-UHFFFAOYSA-N
XLogP3.20
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
CID 95276927
(2S)-2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 97437793
2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 72872596
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278282
(2R)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278281
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide
CID 162623805
N-(5-fluoro-2-phenoxyphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 71854681
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide (CID 74240763) is 2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide is NCCC1CN(C(=O)Nc2ccccc2Oc2ccc(F)cc2)CCO1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide?
The InChIKey is LKJKMUBEVNAFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-14-5-7-15(8-6-14)26-18-4-2-1-3-17(18)22-19(24)23-11-12-25-16(13-23)9-10-21/h1-8,16H,9-13,21H2,(H,22,24).
What are the key properties of 2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide?
2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 74240763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).