1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine

C17H28N2O2 — CID 79050878

IUPAC1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine
SMILESCNC(Cc1cccc(OC)c1)C(C)(C)N1CCOCC1
InChIInChI=1S/C17H28N2O2/c1-17(2,19-8-10-21-11-9-19)16(18-3)13-14-6-5-7-15(12-14)20-4/h5-7,12,16,18H,8-11,13H2,1-4H3
InChIKeyXRJXJWKSNIEJAG-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.94
Rot. Bonds6

About 1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine

1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine (PubChem CID 79050878) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine
PubChem CID79050878
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine
SMILESCNC(Cc1cccc(OC)c1)C(C)(C)N1CCOCC1
InChIInChI=1S/C17H28N2O2/c1-17(2,19-8-10-21-11-9-19)16(18-3)13-14-6-5-7-15(12-14)20-4/h5-7,12,16,18H,8-11,13H2,1-4H3
InChIKeyXRJXJWKSNIEJAG-UHFFFAOYSA-N
XLogP1.94
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 79054097
(2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile
CID 101085422
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 65352933
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111251656
N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959838
2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone
CID 108994199
2-(3-methoxyphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18166755
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
1-ethyl-3-[3-(3-methoxyphenyl)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315301
3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62724321

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine (CID 79050878) is 1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine is CNC(Cc1cccc(OC)c1)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine?
The InChIKey is XRJXJWKSNIEJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,19-8-10-21-11-9-19)16(18-3)13-14-6-5-7-15(12-14)20-4/h5-7,12,16,18H,8-11,13H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine?
1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine has a molecular weight of 292.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 79050878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).