2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline

C19H20Cl3N3O2 — CID 3791654

IUPAC2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline
SMILESCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1CN1CCOCC1
InChIInChI=1S/C19H20Cl3N3O2/c1-26-18-3-2-13(8-14(18)12-25-4-6-27-7-5-25)11-23-24-19-16(21)9-15(20)10-17(19)22/h2-3,8-11,24H,4-7,12H2,1H3
InChIKeyDKMSUTGKWDTTMX-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.93
Rot. Bonds6

About 2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline

2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline (PubChem CID 3791654) has the molecular formula C19H20Cl3N3O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline
PubChem CID3791654
Molecular FormulaC19H20Cl3N3O2
Molecular Weight428.75 g/mol
Exact Mass427.06
IUPAC Name2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline
SMILESCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1CN1CCOCC1
InChIInChI=1S/C19H20Cl3N3O2/c1-26-18-3-2-13(8-14(18)12-25-4-6-27-7-5-25)11-23-24-19-16(21)9-15(20)10-17(19)22/h2-3,8-11,24H,4-7,12H2,1H3
InChIKeyDKMSUTGKWDTTMX-UHFFFAOYSA-N
XLogP4.93
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide
CID 23095152
4-chloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1222812
N-[(Z)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2,4,6-trichloroaniline
CID 6114960
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
CID 171985779
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline
CID 5097716
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
2,4,6-trichloro-N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]aniline
CID 46496624
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 6879261
4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
CID 163990901
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline (CID 3791654) is 2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline is COc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1CN1CCOCC1.
What is the InChIKey of 2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline?
The InChIKey is DKMSUTGKWDTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O2/c1-26-18-3-2-13(8-14(18)12-25-4-6-27-7-5-25)11-23-24-19-16(21)9-15(20)10-17(19)22/h2-3,8-11,24H,4-7,12H2,1H3.
What are the key properties of 2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline?
2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline has a molecular weight of 428.75 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 3791654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).