4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline

C15H23ClN2O3 — CID 79164835

IUPAC4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline
SMILESCCN1CCOC(CNc2cc(OC)c(Cl)cc2OC)C1
InChIInChI=1S/C15H23ClN2O3/c1-4-18-5-6-21-11(10-18)9-17-13-8-14(19-2)12(16)7-15(13)20-3/h7-8,11,17H,4-6,9-10H2,1-3H3
InChIKeyWTQMGLVAMPMZPG-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.49
Rot. Bonds6

About 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline

4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline (PubChem CID 79164835) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline
PubChem CID79164835
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline
SMILESCCN1CCOC(CNc2cc(OC)c(Cl)cc2OC)C1
InChIInChI=1S/C15H23ClN2O3/c1-4-18-5-6-21-11(10-18)9-17-13-8-14(19-2)12(16)7-15(13)20-3/h7-8,11,17H,4-6,9-10H2,1-3H3
InChIKeyWTQMGLVAMPMZPG-UHFFFAOYSA-N
XLogP2.49
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172466
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
N-[(4-ethylmorpholin-2-yl)methyl]-4-methoxy-3-methylaniline
CID 79166344
2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164415
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine
CID 115733628
4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid
CID 114401232
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]quinolin-8-amine
CID 116784042
methyl 3-amino-4-[(4-ethylmorpholin-2-yl)methylamino]benzoate
CID 114401093
5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 113233659
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
CID 79165761
N-[(4-ethylmorpholin-2-yl)methyl]quinolin-4-amine
CID 115620947
2-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 114400165

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline?
The IUPAC name of 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline (CID 79164835) is 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline.
What is the SMILES notation for 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline?
The canonical SMILES for 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline is CCN1CCOC(CNc2cc(OC)c(Cl)cc2OC)C1.
What is the InChIKey of 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline?
The InChIKey is WTQMGLVAMPMZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-4-18-5-6-21-11(10-18)9-17-13-8-14(19-2)12(16)7-15(13)20-3/h7-8,11,17H,4-6,9-10H2,1-3H3.
What are the key properties of 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline?
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline has a molecular weight of 314.81 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 79164835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).