N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline

C14H22N2O — CID 3830898

IUPACN,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
SMILESCN(C)c1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C14H22N2O/c1-15(2)14-5-3-13(4-6-14)7-8-16-9-11-17-12-10-16/h3-6H,7-12H2,1-2H3
InChIKeyIRMWOTPYKKUMJJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.63
Rot. Bonds4

About N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline

N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline (PubChem CID 3830898) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
PubChem CID3830898
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
SMILESCN(C)c1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C14H22N2O/c1-15(2)14-5-3-13(4-6-14)7-8-16-9-11-17-12-10-16/h3-6H,7-12H2,1-2H3
InChIKeyIRMWOTPYKKUMJJ-UHFFFAOYSA-N
XLogP1.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline (CID 3830898) is N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline is CN(C)c1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline?
The InChIKey is IRMWOTPYKKUMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(2)14-5-3-13(4-6-14)7-8-16-9-11-17-12-10-16/h3-6H,7-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline?
N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline has a molecular weight of 234.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 3830898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).