N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine

C16H24Cl2N2O — CID 79095154

IUPACN-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)C1CN(C)CCO1
InChIInChI=1S/C16H24Cl2N2O/c1-3-6-19-15(16-11-20(2)7-8-21-16)10-12-4-5-13(17)14(18)9-12/h4-5,9,15-16,19H,3,6-8,10-11H2,1-2H3
InChIKeyNPRDTTCNVPQXCZ-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine

N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine (PubChem CID 79095154) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
PubChem CID79095154
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC NameN-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)C1CN(C)CCO1
InChIInChI=1S/C16H24Cl2N2O/c1-3-6-19-15(16-11-20(2)7-8-21-16)10-12-4-5-13(17)14(18)9-12/h4-5,9,15-16,19H,3,6-8,10-11H2,1-2H3
InChIKeyNPRDTTCNVPQXCZ-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine (CID 79095154) is N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(Cl)c1)C1CN(C)CCO1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
The InChIKey is NPRDTTCNVPQXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O/c1-3-6-19-15(16-11-20(2)7-8-21-16)10-12-4-5-13(17)14(18)9-12/h4-5,9,15-16,19H,3,6-8,10-11H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine has a molecular weight of 331.29 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79095154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).