N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine

C21H25Cl2FN2O3 — CID 66537734

IUPACN-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
SMILESCOc1cc(CNCCN2CCOCC2)c(Cl)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C21H25Cl2FN2O3/c1-27-20-11-15(13-25-5-6-26-7-9-28-10-8-26)18(23)12-21(20)29-14-16-17(22)3-2-4-19(16)24/h2-4,11-12,25H,5-10,13-14H2,1H3
InChIKeyRRCKBWNTHZZNOK-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.14
Rot. Bonds9

About N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine

N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 66537734) has the molecular formula C21H25Cl2FN2O3 and a molecular weight of 443.35 g/mol. Its IUPAC name is N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
PubChem CID66537734
Molecular FormulaC21H25Cl2FN2O3
Molecular Weight443.35 g/mol
Exact Mass442.12
IUPAC NameN-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
SMILESCOc1cc(CNCCN2CCOCC2)c(Cl)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C21H25Cl2FN2O3/c1-27-20-11-15(13-25-5-6-26-7-9-28-10-8-26)18(23)12-21(20)29-14-16-17(22)3-2-4-19(16)24/h2-4,11-12,25H,5-10,13-14H2,1H3
InChIKeyRRCKBWNTHZZNOK-UHFFFAOYSA-N
XLogP4.14
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538125
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537718
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538131
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-methylbutan-1-amine
CID 66530086
2-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537733
2-[3-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol
CID 66537743
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 4720319
N-[[2-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537283
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66531671
4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870456
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
2,6-dichloro-4-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 66540222

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine (CID 66537734) is N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine is COc1cc(CNCCN2CCOCC2)c(Cl)cc1OCc1c(F)cccc1Cl.
What is the InChIKey of N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is RRCKBWNTHZZNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2FN2O3/c1-27-20-11-15(13-25-5-6-26-7-9-28-10-8-26)18(23)12-21(20)29-14-16-17(22)3-2-4-19(16)24/h2-4,11-12,25H,5-10,13-14H2,1H3.
What are the key properties of N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine?
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 443.35 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 66537734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).