N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine

C20H27N3O — CID 134141358

IUPACN'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H27N3O/c1-22(10-9-21)16-17-3-2-4-19(15-17)18-5-7-20(8-6-18)23-11-13-24-14-12-23/h2-8,15H,9-14,16,21H2,1H3
InChIKeyGJRSWZIZQMLVJP-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.58
Rot. Bonds6

About N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine

N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 134141358) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID134141358
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H27N3O/c1-22(10-9-21)16-17-3-2-4-19(15-17)18-5-7-20(8-6-18)23-11-13-24-14-12-23/h2-8,15H,9-14,16,21H2,1H3
InChIKeyGJRSWZIZQMLVJP-UHFFFAOYSA-N
XLogP2.58
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine (CID 134141358) is N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine is CN(CCN)Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is GJRSWZIZQMLVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-22(10-9-21)16-17-3-2-4-19(15-17)18-5-7-20(8-6-18)23-11-13-24-14-12-23/h2-8,15H,9-14,16,21H2,1H3.
What are the key properties of N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 325.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[3-(4-morpholin-4-ylphenyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 134141358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).