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

C12H15FN2O2 — CID 42252437

IUPAC[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
SMILESNC[C@@H]1CN(C(=O)c2ccc(F)cc2)CCO1
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-9(2-4-10)12(16)15-5-6-17-11(7-14)8-15/h1-4,11H,5-8,14H2/t11-/m1/s1
InChIKeyJCWDVFSCFUHRGW-LLVKDONJSA-N
MW238.26 g/mol
LogP0.63
Rot. Bonds2

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

[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 42252437) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
PubChem CID42252437
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
SMILESNC[C@@H]1CN(C(=O)c2ccc(F)cc2)CCO1
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-9(2-4-10)12(16)15-5-6-17-11(7-14)8-15/h1-4,11H,5-8,14H2/t11-/m1/s1
InChIKeyJCWDVFSCFUHRGW-LLVKDONJSA-N
XLogP0.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107702086
[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 93338217
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059702
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
CID 129348847
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone (CID 42252437) is [(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone is NC[C@@H]1CN(C(=O)c2ccc(F)cc2)CCO1.
What is the InChIKey of [(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is JCWDVFSCFUHRGW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-3-1-9(2-4-10)12(16)15-5-6-17-11(7-14)8-15/h1-4,11H,5-8,14H2/t11-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone?
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 238.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 42252437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).