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

C15H20N2O — CID 54969416

IUPAC3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCC1CN(Cc2cccc(C#CCN)c2)CCO1
InChIInChI=1S/C15H20N2O/c1-13-11-17(8-9-18-13)12-15-5-2-4-14(10-15)6-3-7-16/h2,4-5,10,13H,7-9,11-12,16H2,1H3
InChIKeyXWFIPEYOCRBNAL-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.22
Rot. Bonds2

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

3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine (PubChem CID 54969416) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine
PubChem CID54969416
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCC1CN(Cc2cccc(C#CCN)c2)CCO1
InChIInChI=1S/C15H20N2O/c1-13-11-17(8-9-18-13)12-15-5-2-4-14(10-15)6-3-7-16/h2,4-5,10,13H,7-9,11-12,16H2,1H3
InChIKeyXWFIPEYOCRBNAL-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]but-3-yn-1-ol
CID 62972396
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114681109
3-[3-(1,4-oxazepan-4-ylmethyl)phenyl]prop-2-yn-1-amine
CID 62973302
3-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844274
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63569378
[3-(3-aminoprop-1-ynyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62969056
3-[3-[(2-ethylazepan-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 104691411
2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111082801
4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine
CID 20777024
1-cyclopentyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]methanesulfonamide
CID 127491738
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine (CID 54969416) is 3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine is CC1CN(Cc2cccc(C#CCN)c2)CCO1.
What is the InChIKey of 3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine?
The InChIKey is XWFIPEYOCRBNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-13-11-17(8-9-18-13)12-15-5-2-4-14(10-15)6-3-7-16/h2,4-5,10,13H,7-9,11-12,16H2,1H3.
What are the key properties of 3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine?
3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine has a molecular weight of 244.34 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 54969416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).