3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline

C17H18Cl2N2O — CID 91674333

IUPAC3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline
SMILESClc1ccc(CNc2cccc(Cl)c2N2CCOCC2)cc1
InChIInChI=1S/C17H18Cl2N2O/c18-14-6-4-13(5-7-14)12-20-16-3-1-2-15(19)17(16)21-8-10-22-11-9-21/h1-7,20H,8-12H2
InChIKeyKGOYCOODQJJYAF-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.44
Rot. Bonds4

About 3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline

3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline (PubChem CID 91674333) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline
PubChem CID91674333
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline
SMILESClc1ccc(CNc2cccc(Cl)c2N2CCOCC2)cc1
InChIInChI=1S/C17H18Cl2N2O/c18-14-6-4-13(5-7-14)12-20-16-3-1-2-15(19)17(16)21-8-10-22-11-9-21/h1-7,20H,8-12H2
InChIKeyKGOYCOODQJJYAF-UHFFFAOYSA-N
XLogP4.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-chloro-2-morpholin-4-ylaniline
CID 91674334
2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55566312
3-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylaniline
CID 126767216
2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide
CID 39998866
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 94494667
N-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-3-chloro-2-morpholin-4-ylaniline
CID 75450502
N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-nitroaniline
CID 2870795
3-chloro-2-morpholin-4-ylaniline
CID 952393
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
CID 119840505
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108507752

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline (CID 91674333) is 3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline is Clc1ccc(CNc2cccc(Cl)c2N2CCOCC2)cc1.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline?
The InChIKey is KGOYCOODQJJYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-14-6-4-13(5-7-14)12-20-16-3-1-2-15(19)17(16)21-8-10-22-11-9-21/h1-7,20H,8-12H2.
What are the key properties of 3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline?
3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline has a molecular weight of 337.25 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline is sourced from PubChem (CID 91674333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).