4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine

C13H21N3O — CID 79171191

IUPAC4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
SMILESCN1CCOC(CN(C)c2ccc(N)cc2)C1
InChIInChI=1S/C13H21N3O/c1-15-7-8-17-13(9-15)10-16(2)12-5-3-11(14)4-6-12/h3-6,13H,7-10,14H2,1-2H3
InChIKeyIXYNDLJMHNYVSE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.04
Rot. Bonds3

About 4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine

4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine (PubChem CID 79171191) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
PubChem CID79171191
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
SMILESCN1CCOC(CN(C)c2ccc(N)cc2)C1
InChIInChI=1S/C13H21N3O/c1-15-7-8-17-13(9-15)10-16(2)12-5-3-11(14)4-6-12/h3-6,13H,7-10,14H2,1-2H3
InChIKeyIXYNDLJMHNYVSE-UHFFFAOYSA-N
XLogP1.04
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide
CID 79171067
N'-(2-aminoethyl)-N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171859
2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
CID 79182777
N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79171481
benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate
CID 110710538
5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine
CID 107205092
2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
3-fluoro-4-[(4-methylmorpholin-2-yl)methylsulfinyl]aniline
CID 81191521
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
(4-methylmorpholin-2-yl)methyl 4-amino-2-methylbenzoate
CID 79182043
2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110710630

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine (CID 79171191) is 4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine is CN1CCOC(CN(C)c2ccc(N)cc2)C1.
What is the InChIKey of 4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine?
The InChIKey is IXYNDLJMHNYVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-7-8-17-13(9-15)10-16(2)12-5-3-11(14)4-6-12/h3-6,13H,7-10,14H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine?
4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 79171191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).