N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine

C17H28N2O — CID 79092700

IUPACN-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)C1CN(C)CCO1
InChIInChI=1S/C17H28N2O/c1-4-10-18-17(16-13-19(3)11-12-20-16)15-8-6-14(5-2)7-9-15/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKeyQFRPBEJWQHUTFO-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.62
Rot. Bonds6

About N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine

N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 79092700) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID79092700
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)C1CN(C)CCO1
InChIInChI=1S/C17H28N2O/c1-4-10-18-17(16-13-19(3)11-12-20-16)15-8-6-14(5-2)7-9-15/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKeyQFRPBEJWQHUTFO-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092986
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
N-[(4-methylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 79093764
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79703912
N-ethyl-2-(4-ethylphenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093945
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093754
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095154
N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114729699
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657225

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (CID 79092700) is N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(CC)cc1)C1CN(C)CCO1.
What is the InChIKey of N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is QFRPBEJWQHUTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-10-18-17(16-13-19(3)11-12-20-16)15-8-6-14(5-2)7-9-15/h6-9,16-18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79092700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).