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

C16H26N2O — CID 55040210

IUPACN-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1N1CCOC(C)C1
InChIInChI=1S/C16H26N2O/c1-12(2)17-10-15-5-6-16(13(3)9-15)18-7-8-19-14(4)11-18/h5-6,9,12,14,17H,7-8,10-11H2,1-4H3
InChIKeyOHHXDWFDKBFYFL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds4

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

N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine (PubChem CID 55040210) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
PubChem CID55040210
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1N1CCOC(C)C1
InChIInChI=1S/C16H26N2O/c1-12(2)17-10-15-5-6-16(13(3)9-15)18-7-8-19-14(4)11-18/h5-6,9,12,14,17H,7-8,10-11H2,1-4H3
InChIKeyOHHXDWFDKBFYFL-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.72
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

2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120829
N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine
CID 63635862
[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
CID 62120166
N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine
CID 62121009
N-[[4-fluoro-3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-2-amine
CID 107453794
N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62121366
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidine-4-carboxamide
CID 62121170
N-[[4-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
CID 55054705
[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
CID 81194556
1-[3-fluoro-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62974161
N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine
CID 64575732
1-[5-methyl-2-(2-methylmorpholin-4-yl)phenyl]propan-2-amine
CID 114055279

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine (CID 55040210) is N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)ccc1N1CCOC(C)C1.
What is the InChIKey of N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The InChIKey is OHHXDWFDKBFYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)17-10-15-5-6-16(13(3)9-15)18-7-8-19-14(4)11-18/h5-6,9,12,14,17H,7-8,10-11H2,1-4H3.
What are the key properties of N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 55040210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).