1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine

C25H29ClN2O — CID 12033344

IUPAC1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCC1CN(CC(NCc2cccc3ccccc23)c2cccc(Cl)c2)CC(C)O1
InChIInChI=1S/C25H29ClN2O/c1-18-15-28(16-19(2)29-18)17-25(21-9-6-11-23(26)13-21)27-14-22-10-5-8-20-7-3-4-12-24(20)22/h3-13,18-19,25,27H,14-17H2,1-2H3
InChIKeyGMOUIGJXUPNPAQ-UHFFFAOYSA-N
MW408.97 g/mol
LogP5.43
Rot. Bonds6

About 1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine

1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 12033344) has the molecular formula C25H29ClN2O and a molecular weight of 408.97 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID12033344
Molecular FormulaC25H29ClN2O
Molecular Weight408.97 g/mol
Exact Mass408.20
IUPAC Name1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCC1CN(CC(NCc2cccc3ccccc23)c2cccc(Cl)c2)CC(C)O1
InChIInChI=1S/C25H29ClN2O/c1-18-15-28(16-19(2)29-18)17-25(21-9-6-11-23(26)13-21)27-14-22-10-5-8-20-7-3-4-12-24(20)22/h3-13,18-19,25,27H,14-17H2,1-2H3
InChIKeyGMOUIGJXUPNPAQ-UHFFFAOYSA-N
XLogP5.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.97
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine (CID 12033344) is 1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine is CC1CN(CC(NCc2cccc3ccccc23)c2cccc(Cl)c2)CC(C)O1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is GMOUIGJXUPNPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O/c1-18-15-28(16-19(2)29-18)17-25(21-9-6-11-23(26)13-21)27-14-22-10-5-8-20-7-3-4-12-24(20)22/h3-13,18-19,25,27H,14-17H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 408.97 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 12033344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).