1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine

C14H22N2O — CID 43562969

IUPAC1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine
SMILESCCC1CN(c2ccc(CNC)cc2)CCO1
InChIInChI=1S/C14H22N2O/c1-3-14-11-16(8-9-17-14)13-6-4-12(5-7-13)10-15-2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyMYJIFJRKFVHSNX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds4

About 1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine

1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine (PubChem CID 43562969) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine
PubChem CID43562969
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine
SMILESCCC1CN(c2ccc(CNC)cc2)CCO1
InChIInChI=1S/C14H22N2O/c1-3-14-11-16(8-9-17-14)13-6-4-12(5-7-13)10-15-2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyMYJIFJRKFVHSNX-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058970
(2S)-2-ethyl-4-(4-nitrophenyl)morpholine
CID 95151191
N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 43562789
N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62121366
4-(2-ethyl-1,4-oxazepan-4-yl)benzonitrile
CID 114217515
N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62135020
2-(2-ethylmorpholin-4-yl)benzonitrile
CID 43429873
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
3-(2-ethylmorpholin-4-yl)benzonitrile
CID 102815399
1-[4-(2-ethyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 114218460
N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532257
1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine
CID 64599616

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine (CID 43562969) is 1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine is CCC1CN(c2ccc(CNC)cc2)CCO1.
What is the InChIKey of 1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is MYJIFJRKFVHSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-14-11-16(8-9-17-14)13-6-4-12(5-7-13)10-15-2/h4-7,14-15H,3,8-11H2,1-2H3.
What are the key properties of 1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine?
1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43562969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).