N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine

C23H30Cl2N2O3 — CID 66538087

IUPACN-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCOc1cc(CNCCCN2CCOCC2)c(Cl)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C23H30Cl2N2O3/c1-2-29-22-14-19(16-26-7-4-8-27-9-11-28-12-10-27)21(25)15-23(22)30-17-18-5-3-6-20(24)13-18/h3,5-6,13-15,26H,2,4,7-12,16-17H2,1H3
InChIKeyHVXLLZQRVPMDOL-UHFFFAOYSA-N
MW453.41 g/mol
LogP4.78
Rot. Bonds11

About N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine

N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 66538087) has the molecular formula C23H30Cl2N2O3 and a molecular weight of 453.41 g/mol. Its IUPAC name is N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID66538087
Molecular FormulaC23H30Cl2N2O3
Molecular Weight453.41 g/mol
Exact Mass452.16
IUPAC NameN-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCOc1cc(CNCCCN2CCOCC2)c(Cl)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C23H30Cl2N2O3/c1-2-29-22-14-19(16-26-7-4-8-27-9-11-28-12-10-27)21(25)15-23(22)30-17-18-5-3-6-20(24)13-18/h3,5-6,13-15,26H,2,4,7-12,16-17H2,1H3
InChIKeyHVXLLZQRVPMDOL-UHFFFAOYSA-N
XLogP4.78
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 54.78
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-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538063
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 66538009
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722106
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289415
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 66530681
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537718
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 17159849
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66537683
4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine (CID 66538087) is N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine is CCOc1cc(CNCCCN2CCOCC2)c(Cl)cc1OCc1cccc(Cl)c1.
What is the InChIKey of N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is HVXLLZQRVPMDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N2O3/c1-2-29-22-14-19(16-26-7-4-8-27-9-11-28-12-10-27)21(25)15-23(22)30-17-18-5-3-6-20(24)13-18/h3,5-6,13-15,26H,2,4,7-12,16-17H2,1H3.
What are the key properties of N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine?
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 453.41 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 66538087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).