1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

C15H23ClN2O — CID 79658091

IUPAC1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2O/c1-3-7-18-8-9-19-14(11-18)15(17-2)12-5-4-6-13(16)10-12/h4-6,10,14-15,17H,3,7-9,11H2,1-2H3
InChIKeyLGAQHBNNADIFDR-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.71
Rot. Bonds5

About 1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (PubChem CID 79658091) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
PubChem CID79658091
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2O/c1-3-7-18-8-9-19-14(11-18)15(17-2)12-5-4-6-13(16)10-12/h4-6,10,14-15,17H,3,7-9,11H2,1-2H3
InChIKeyLGAQHBNNADIFDR-UHFFFAOYSA-N
XLogP2.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine
CID 79657622
1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658250
[(3,4-dichlorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247889
N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 107560521
[(2,5-dichlorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247885
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 106645880
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79739511
1-(2-ethoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79663982
[(4-fluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247799
phenyl-(4-propylmorpholin-2-yl)methanamine
CID 79657763
1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79093150
[(3,5-dimethylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247957

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (CID 79658091) is 1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is CCCN1CCOC(C(NC)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The InChIKey is LGAQHBNNADIFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-7-18-8-9-19-14(11-18)15(17-2)12-5-4-6-13(16)10-12/h4-6,10,14-15,17H,3,7-9,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine has a molecular weight of 282.81 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79658091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).