2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine

C17H28N2O — CID 62120673

IUPAC2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1N1CCOCC1C
InChIInChI=1S/C17H28N2O/c1-13-10-15(11-18-17(3,4)5)6-7-16(13)19-8-9-20-12-14(19)2/h6-7,10,14,18H,8-9,11-12H2,1-5H3
InChIKeyHEUDZKILGNJKCY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine (PubChem CID 62120673) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
PubChem CID62120673
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1N1CCOCC1C
InChIInChI=1S/C17H28N2O/c1-13-10-15(11-18-17(3,4)5)6-7-16(13)19-8-9-20-12-14(19)2/h6-7,10,14,18H,8-9,11-12H2,1-5H3
InChIKeyHEUDZKILGNJKCY-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 62121725
N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81146788
3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline
CID 93111224
1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
CID 43542423
2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120829
N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542420
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 62120126
N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62121366
[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
CID 81194556
N-[[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060508
N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925543
N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105384909

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine (CID 62120673) is 2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine is Cc1cc(CNC(C)(C)C)ccc1N1CCOCC1C.
What is the InChIKey of 2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The InChIKey is HEUDZKILGNJKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-10-15(11-18-17(3,4)5)6-7-16(13)19-8-9-20-12-14(19)2/h6-7,10,14,18H,8-9,11-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62120673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).