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

C12H15FN2O2 — CID 42252423

IUPAC[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
SMILESNC[C@H]1CN(C(=O)c2ccccc2F)CCO1
InChIInChI=1S/C12H15FN2O2/c13-11-4-2-1-3-10(11)12(16)15-5-6-17-9(7-14)8-15/h1-4,9H,5-8,14H2/t9-/m0/s1
InChIKeyNHWHDVRHNDFUCP-VIFPVBQESA-N
MW238.26 g/mol
LogP0.63
Rot. Bonds2

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

[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone (PubChem CID 42252423) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
PubChem CID42252423
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
SMILESNC[C@H]1CN(C(=O)c2ccccc2F)CCO1
InChIInChI=1S/C12H15FN2O2/c13-11-4-2-1-3-10(11)12(16)15-5-6-17-9(7-14)8-15/h1-4,9H,5-8,14H2/t9-/m0/s1
InChIKeyNHWHDVRHNDFUCP-VIFPVBQESA-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

[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 61337007
[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone
CID 107983238
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 42861811
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
(2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 42861815
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone
CID 124954150
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
[2-(aminomethyl)morpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892186

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone (CID 42252423) is [(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone is NC[C@H]1CN(C(=O)c2ccccc2F)CCO1.
What is the InChIKey of [(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone?
The InChIKey is NHWHDVRHNDFUCP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-11-4-2-1-3-10(11)12(16)15-5-6-17-9(7-14)8-15/h1-4,9H,5-8,14H2/t9-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone?
[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-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 [(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 42252423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).