3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine

C16H22N2O2 — CID 83134489

IUPAC3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine
SMILESCc1cc(OCC2CN(C)CCO2)ccc1C#CCN
InChIInChI=1S/C16H22N2O2/c1-13-10-15(6-5-14(13)4-3-7-17)20-12-16-11-18(2)8-9-19-16/h5-6,10,16H,7-9,11-12,17H2,1-2H3
InChIKeyMDABZHWQQUBPIH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.01
Rot. Bonds3

About 3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine

3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine (PubChem CID 83134489) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine
PubChem CID83134489
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine
SMILESCc1cc(OCC2CN(C)CCO2)ccc1C#CCN
InChIInChI=1S/C16H22N2O2/c1-13-10-15(6-5-14(13)4-3-7-17)20-12-16-11-18(2)8-9-19-16/h5-6,10,16H,7-9,11-12,17H2,1-2H3
InChIKeyMDABZHWQQUBPIH-UHFFFAOYSA-N
XLogP1.01
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-4-methylmorpholine
CID 83134872
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
3-[2-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 83134569
2-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]-4-methylmorpholine
CID 79182986
2-chloro-4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 102724337
2-[[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]methyl]-4-methylmorpholine
CID 104706832
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 79182948
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 79183075
4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 79171418

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine (CID 83134489) is 3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine is Cc1cc(OCC2CN(C)CCO2)ccc1C#CCN.
What is the InChIKey of 3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is MDABZHWQQUBPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-10-15(6-5-14(13)4-3-7-17)20-12-16-11-18(2)8-9-19-16/h5-6,10,16H,7-9,11-12,17H2,1-2H3.
What are the key properties of 3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine?
3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 274.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 83134489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).