N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine

C17H27ClN2O — CID 107560521

IUPACN-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
SMILESCCCN1CCOC(C(NCC)c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C17H27ClN2O/c1-4-8-20-9-10-21-16(12-20)17(19-5-2)14-7-6-13(3)15(18)11-14/h6-7,11,16-17,19H,4-5,8-10,12H2,1-3H3
InChIKeyLWKKTGOZXVOUGN-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.41
Rot. Bonds6

About N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine

N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine (PubChem CID 107560521) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
PubChem CID107560521
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
SMILESCCCN1CCOC(C(NCC)c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C17H27ClN2O/c1-4-8-20-9-10-21-16(12-20)17(19-5-2)14-7-6-13(3)15(18)11-14/h6-7,11,16-17,19H,4-5,8-10,12H2,1-3H3
InChIKeyLWKKTGOZXVOUGN-UHFFFAOYSA-N
XLogP3.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine with MolForge

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Related Compounds

[(3,4-dichlorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247889
N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 105395250
[(4-fluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247799
1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658091
N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine
CID 79657622
[(2,5-dichlorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247885
[(3,5-dimethylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247957
N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 114688561
[(5-fluoro-2-methylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247795
[(4-propylmorpholin-2-yl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105247926
N-[(3-chloro-4-methylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]ethanamine
CID 107560540
N-[(4-ethylmorpholin-2-yl)-(furan-3-yl)methyl]ethanamine
CID 79669655

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine (CID 107560521) is N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine is CCCN1CCOC(C(NCC)c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is LWKKTGOZXVOUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-8-20-9-10-21-16(12-20)17(19-5-2)14-7-6-13(3)15(18)11-14/h6-7,11,16-17,19H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 310.87 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 107560521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).