N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine

C13H20N2O — CID 43542433

IUPACN-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
SMILESCNCc1ccc(N2CCOCC2C)cc1
InChIInChI=1S/C13H20N2O/c1-11-10-16-8-7-15(11)13-5-3-12(4-6-13)9-14-2/h3-6,11,14H,7-10H2,1-2H3
InChIKeyJPQNMJXNMLHFSA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.63
Rot. Bonds3

About N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine

N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine (PubChem CID 43542433) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
PubChem CID43542433
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
SMILESCNCc1ccc(N2CCOCC2C)cc1
InChIInChI=1S/C13H20N2O/c1-11-10-16-8-7-15(11)13-5-3-12(4-6-13)9-14-2/h3-6,11,14H,7-10H2,1-2H3
InChIKeyJPQNMJXNMLHFSA-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363
N-methyl-1-[6-(3-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 62281160
1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
CID 43542423
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83104122
(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 159859057
3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 155453612
N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
N-[4-(3-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 110637445
(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine
CID 93111746
[3-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 102813467
3-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 166093297

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine (CID 43542433) is N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine is CNCc1ccc(N2CCOCC2C)cc1.
What is the InChIKey of N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is JPQNMJXNMLHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-10-16-8-7-15(11)13-5-3-12(4-6-13)9-14-2/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine?
N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 43542433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).