N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline

C14H22N2O — CID 82290806

IUPACN,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
SMILESCN(C)c1ccc(CCC2COCCN2)cc1
InChIInChI=1S/C14H22N2O/c1-16(2)14-7-4-12(5-8-14)3-6-13-11-17-10-9-15-13/h4-5,7-8,13,15H,3,6,9-11H2,1-2H3
InChIKeyMSCXOQBJUQVKQC-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.67
Rot. Bonds4

About N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline

N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline (PubChem CID 82290806) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
PubChem CID82290806
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
SMILESCN(C)c1ccc(CCC2COCCN2)cc1
InChIInChI=1S/C14H22N2O/c1-16(2)14-7-4-12(5-8-14)3-6-13-11-17-10-9-15-13/h4-5,7-8,13,15H,3,6,9-11H2,1-2H3
InChIKeyMSCXOQBJUQVKQC-UHFFFAOYSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenylethyl)morpholine
CID 54013840
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
3-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]morpholine
CID 104704054
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
2-(4-chlorophenyl)-N-methyl-N-(morpholin-3-ylmethyl)ethanamine
CID 115238174
6-(2-morpholin-3-ylethyl)-4H-1,4-benzoxazin-3-one
CID 116928225
3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine
CID 116999266
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239044
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239043

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline?
The IUPAC name of N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline (CID 82290806) is N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline is CN(C)c1ccc(CCC2COCCN2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline?
The InChIKey is MSCXOQBJUQVKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(2)14-7-4-12(5-8-14)3-6-13-11-17-10-9-15-13/h4-5,7-8,13,15H,3,6,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline?
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline has a molecular weight of 234.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline is sourced from PubChem (CID 82290806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).