[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone

C18H19FN2O2 — CID 119315888

IUPAC[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
SMILESNCc1ccc(C(=O)N2CCOC(c3ccccc3F)C2)cc1
InChIInChI=1S/C18H19FN2O2/c19-16-4-2-1-3-15(16)17-12-21(9-10-23-17)18(22)14-7-5-13(11-20)6-8-14/h1-8,17H,9-12,20H2
InChIKeyVKDOKPBJPSNJKH-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.50
Rot. Bonds3

About [4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone

[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 119315888) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
PubChem CID119315888
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
SMILESNCc1ccc(C(=O)N2CCOC(c3ccccc3F)C2)cc1
InChIInChI=1S/C18H19FN2O2/c19-16-4-2-1-3-15(16)17-12-21(9-10-23-17)18(22)14-7-5-13(11-20)6-8-14/h1-8,17H,9-12,20H2
InChIKeyVKDOKPBJPSNJKH-UHFFFAOYSA-N
XLogP2.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
[2-(2-fluorophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 84510735
[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119308311
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183971
4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one
CID 136532193
[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124990500
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
[(2R)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124949019
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110609346

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone (CID 119315888) is [4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone is NCc1ccc(C(=O)N2CCOC(c3ccccc3F)C2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is VKDOKPBJPSNJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-4-2-1-3-15(16)17-12-21(9-10-23-17)18(22)14-7-5-13(11-20)6-8-14/h1-8,17H,9-12,20H2.
What are the key properties of [4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 314.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 119315888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).