[3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C20H31N3O2 — CID 59231469

IUPAC[3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(NCC3CCC(N)CC3)c2)C[C@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-14-12-23(13-15(2)25-14)20(24)17-4-3-5-19(10-17)22-11-16-6-8-18(21)9-7-16/h3-5,10,14-16,18,22H,6-9,11-13,21H2,1-2H3/t14-,15+,16?,18?
InChIKeyWNAIOTXBKGJUTL-SFYZZRBRSA-N
MW345.49 g/mol
LogP2.87
Rot. Bonds4

About [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

[3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 59231469) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID59231469
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name[3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(NCC3CCC(N)CC3)c2)C[C@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-14-12-23(13-15(2)25-14)20(24)17-4-3-5-19(10-17)22-11-16-6-8-18(21)9-7-16/h3-5,10,14-16,18,22H,6-9,11-13,21H2,1-2H3/t14-,15+,16?,18?
InChIKeyWNAIOTXBKGJUTL-SFYZZRBRSA-N
XLogP2.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 119744229
N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline
CID 59231299
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119744228
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
CID 104959807
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 20629626
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033836
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
(2,6-dimethylmorpholin-4-yl)-(3-nitrophenyl)methanone
CID 2832217
ethyl 3-(cyclopentylmethylamino)benzoate
CID 62070865

Frequently Asked Questions

What is the IUPAC name of [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 59231469) is [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cccc(NCC3CCC(N)CC3)c2)C[C@H](C)O1.
What is the InChIKey of [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is WNAIOTXBKGJUTL-SFYZZRBRSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14-12-23(13-15(2)25-14)20(24)17-4-3-5-19(10-17)22-11-16-6-8-18(21)9-7-16/h3-5,10,14-16,18,22H,6-9,11-13,21H2,1-2H3/t14-,15+,16?,18?.
What are the key properties of [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 345.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-aminocyclohexyl)methylamino]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 59231469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).