2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine

C14H21ClN2O — CID 61429561

IUPAC2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
SMILESCC1(C)COCCN1C(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-14(2)10-18-7-6-17(14)13(9-16)11-4-3-5-12(15)8-11/h3-5,8,13H,6-7,9-10,16H2,1-2H3
InChIKeyJKYKFWAZVBVLTA-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.45
Rot. Bonds3

About 2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine

2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine (PubChem CID 61429561) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
PubChem CID61429561
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
SMILESCC1(C)COCCN1C(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-14(2)10-18-7-6-17(14)13(9-16)11-4-3-5-12(15)8-11/h3-5,8,13H,6-7,9-10,16H2,1-2H3
InChIKeyJKYKFWAZVBVLTA-UHFFFAOYSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine (CID 61429561) is 2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine is CC1(C)COCCN1C(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The InChIKey is JKYKFWAZVBVLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(2)10-18-7-6-17(14)13(9-16)11-4-3-5-12(15)8-11/h3-5,8,13H,6-7,9-10,16H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 61429561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).