3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline

C15H23ClN2O2 — CID 79182835

IUPAC3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCCOc1ccc(NCC2CN(C)CCO2)cc1CCl
InChIInChI=1S/C15H23ClN2O2/c1-3-19-15-5-4-13(8-12(15)9-16)17-10-14-11-18(2)6-7-20-14/h4-5,8,14,17H,3,6-7,9-11H2,1-2H3
InChIKeyNDYQGPCOVLYPLQ-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.57
Rot. Bonds6

About 3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline

3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline (PubChem CID 79182835) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
PubChem CID79182835
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCCOc1ccc(NCC2CN(C)CCO2)cc1CCl
InChIInChI=1S/C15H23ClN2O2/c1-3-19-15-5-4-13(8-12(15)9-16)17-10-14-11-18(2)6-7-20-14/h4-5,8,14,17H,3,6-7,9-11H2,1-2H3
InChIKeyNDYQGPCOVLYPLQ-UHFFFAOYSA-N
XLogP2.57
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]-4-nitroaniline
CID 79083323
2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172087
3-(chloromethyl)-N-(cyclopentylmethyl)-4-ethoxyaniline
CID 65025087
N-[(2-ethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943123
3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172561
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 79171600
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171120
3-(chloromethyl)-4-ethoxy-N-(2-fluoroethyl)aniline
CID 80696118
3-chloro-4-ethoxy-N-(oxolan-2-ylmethyl)aniline
CID 82835543

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline (CID 79182835) is 3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline is CCOc1ccc(NCC2CN(C)CCO2)cc1CCl.
What is the InChIKey of 3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The InChIKey is NDYQGPCOVLYPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-19-15-5-4-13(8-12(15)9-16)17-10-14-11-18(2)6-7-20-14/h4-5,8,14,17H,3,6-7,9-11H2,1-2H3.
What are the key properties of 3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline has a molecular weight of 298.81 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 79182835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).