N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine

C21H26Cl2N2O — CID 89437463

IUPACN-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(CCC(c1ccc(Cl)c(Cl)c1)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C21H26Cl2N2O/c1-24(16-17-5-3-2-4-6-17)10-9-21(25-11-13-26-14-12-25)18-7-8-19(22)20(23)15-18/h2-8,15,21H,9-14,16H2,1H3
InChIKeyCUPOAMXQXTXPSU-UHFFFAOYSA-N
MW393.36 g/mol
LogP4.89
Rot. Bonds7

About N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine

N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 89437463) has the molecular formula C21H26Cl2N2O and a molecular weight of 393.36 g/mol. Its IUPAC name is N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
PubChem CID89437463
Molecular FormulaC21H26Cl2N2O
Molecular Weight393.36 g/mol
Exact Mass392.14
IUPAC NameN-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(CCC(c1ccc(Cl)c(Cl)c1)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C21H26Cl2N2O/c1-24(16-17-5-3-2-4-6-17)10-9-21(25-11-13-26-14-12-25)18-7-8-19(22)20(23)15-18/h2-8,15,21H,9-14,16H2,1H3
InChIKeyCUPOAMXQXTXPSU-UHFFFAOYSA-N
XLogP4.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxyzine Hydrochloride
CID 91513
Hydroxyzine monohydrochloride
CID 71612
4-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)morpholine
CID 53323762
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767240
4-[3-(3,4-Dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine
CID 54767241
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine
CID 54767242
2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanamine
CID 77434493
2-[2-[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
CID 118109245
(+/-)-threo-N-Benzyl-3'',4''-dichlororitalinol methylether
CID 52949474
4-(3,4-Dichlorophenethyl)Morpholine
CID 71716507
4-benzyl-1-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-3,6-dihydro-2H-pyridine
CID 118714017
4-[(2,3-Dichlorophenyl)methyl]morpholine
CID 782574

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine (CID 89437463) is N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine is CN(CCC(c1ccc(Cl)c(Cl)c1)N1CCOCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is CUPOAMXQXTXPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O/c1-24(16-17-5-3-2-4-6-17)10-9-21(25-11-13-26-14-12-25)18-7-8-19(22)20(23)15-18/h2-8,15,21H,9-14,16H2,1H3.
What are the key properties of N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 393.36 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 89437463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).