[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone

C15H22N2O2 — CID 129366969

IUPAC[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(CN)cc2)CC(C)(C)O1
InChIInChI=1S/C15H22N2O2/c1-11-9-17(10-15(2,3)19-11)14(18)13-6-4-12(8-16)5-7-13/h4-7,11H,8-10,16H2,1-3H3/t11-/m0/s1
InChIKeyQGFZJTXBCITGNJ-NSHDSACASA-N
MW262.35 g/mol
LogP1.78
Rot. Bonds2

About [4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone

[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (PubChem CID 129366969) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
PubChem CID129366969
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(CN)cc2)CC(C)(C)O1
InChIInChI=1S/C15H22N2O2/c1-11-9-17(10-15(2,3)19-11)14(18)13-6-4-12(8-16)5-7-13/h4-7,11H,8-10,16H2,1-3H3/t11-/m0/s1
InChIKeyQGFZJTXBCITGNJ-NSHDSACASA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124517050
(4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432382
4-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]benzenecarbothioamide
CID 63611846
[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119316814
[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328198
[4-(aminomethyl)phenyl]-(2-ethyl-6-methylmorpholin-4-yl)methanone;hydrochloride
CID 119304821
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923
(3-amino-4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62681407
(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114344244
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (CID 129366969) is [4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2ccc(CN)cc2)CC(C)(C)O1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The InChIKey is QGFZJTXBCITGNJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-17(10-15(2,3)19-11)14(18)13-6-4-12(8-16)5-7-13/h4-7,11H,8-10,16H2,1-3H3/t11-/m0/s1.
What are the key properties of [4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 129366969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).