[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone

C16H24N2O3 — CID 102938425

IUPAC[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CC(C)OC(CN)C2)c1
InChIInChI=1S/C16H24N2O3/c1-3-7-20-14-6-4-5-13(8-14)16(19)18-10-12(2)21-15(9-17)11-18/h4-6,8,12,15H,3,7,9-11,17H2,1-2H3
InChIKeySIQKFVKPJYHGEI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.66
Rot. Bonds5

About [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone

[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone (PubChem CID 102938425) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
PubChem CID102938425
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CC(C)OC(CN)C2)c1
InChIInChI=1S/C16H24N2O3/c1-3-7-20-14-6-4-5-13(8-14)16(19)18-10-12(2)21-15(9-17)11-18/h4-6,8,12,15H,3,7,9-11,17H2,1-2H3
InChIKeySIQKFVKPJYHGEI-UHFFFAOYSA-N
XLogP1.66
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102938275
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 102938320
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107727574
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(4-methoxyphenyl)methanone
CID 102938451
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 114802085
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
[3-(2-aminoethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone;hydrochloride
CID 120727696
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8815293

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone (CID 102938425) is [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)N2CC(C)OC(CN)C2)c1.
What is the InChIKey of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone?
The InChIKey is SIQKFVKPJYHGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-7-20-14-6-4-5-13(8-14)16(19)18-10-12(2)21-15(9-17)11-18/h4-6,8,12,15H,3,7,9-11,17H2,1-2H3.
What are the key properties of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone?
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone has a molecular weight of 292.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone is sourced from PubChem (CID 102938425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).