5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline

C19H22Cl2N2O2 — CID 11315028

IUPAC5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C19H22Cl2N2O2/c1-24-19-7-6-16(21)10-18(19)22-11-17-13-23(8-9-25-17)12-14-2-4-15(20)5-3-14/h2-7,10,17,22H,8-9,11-13H2,1H3
InChIKeyNCZRXAFDSDJXMJ-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.31
Rot. Bonds6

About 5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline

5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline (PubChem CID 11315028) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline
PubChem CID11315028
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C19H22Cl2N2O2/c1-24-19-7-6-16(21)10-18(19)22-11-17-13-23(8-9-25-17)12-14-2-4-15(20)5-3-14/h2-7,10,17,22H,8-9,11-13H2,1H3
InChIKeyNCZRXAFDSDJXMJ-UHFFFAOYSA-N
XLogP4.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline?
The IUPAC name of 5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline (CID 11315028) is 5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline is COc1ccc(Cl)cc1NCC1CN(Cc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline?
The InChIKey is NCZRXAFDSDJXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-24-19-7-6-16(21)10-18(19)22-11-17-13-23(8-9-25-17)12-14-2-4-15(20)5-3-14/h2-7,10,17,22H,8-9,11-13H2,1H3.
What are the key properties of 5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline?
5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline has a molecular weight of 381.30 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxyaniline is sourced from PubChem (CID 11315028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).