2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline

C13H17Cl3N2O — CID 79164415

IUPAC2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
SMILESCCN1CCOC(CNc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl3N2O/c1-2-18-3-4-19-10(8-18)7-17-13-11(15)5-9(14)6-12(13)16/h5-6,10,17H,2-4,7-8H2,1H3
InChIKeyMAAHEQIHOTWZSG-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.78
Rot. Bonds4

About 2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline

2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline (PubChem CID 79164415) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
PubChem CID79164415
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC Name2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
SMILESCCN1CCOC(CNc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl3N2O/c1-2-18-3-4-19-10(8-18)7-17-13-11(15)5-9(14)6-12(13)16/h5-6,10,17H,2-4,7-8H2,1H3
InChIKeyMAAHEQIHOTWZSG-UHFFFAOYSA-N
XLogP3.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline
CID 79164835
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid
CID 114401232
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
CID 79165761
2-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 114400165
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]quinolin-8-amine
CID 116784042
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
CID 114400988
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine
CID 115733628

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline (CID 79164415) is 2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline is CCN1CCOC(CNc2c(Cl)cc(Cl)cc2Cl)C1.
What is the InChIKey of 2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline?
The InChIKey is MAAHEQIHOTWZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3N2O/c1-2-18-3-4-19-10(8-18)7-17-13-11(15)5-9(14)6-12(13)16/h5-6,10,17H,2-4,7-8H2,1H3.
What are the key properties of 2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline?
2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline has a molecular weight of 323.65 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 79164415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).