N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine

C16H25FN2O — CID 79703912

IUPACN-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)C1CN(C)CCO1
InChIInChI=1S/C16H25FN2O/c1-4-5-18-16(15-11-19(3)6-7-20-15)13-8-12(2)9-14(17)10-13/h8-10,15-16,18H,4-7,11H2,1-3H3
InChIKeyWIOVMTVBSGAZIH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.51
Rot. Bonds5

About N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine

N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 79703912) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID79703912
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)C1CN(C)CCO1
InChIInChI=1S/C16H25FN2O/c1-4-5-18-16(15-11-19(3)6-7-20-15)13-8-12(2)9-14(17)10-13/h8-10,15-16,18H,4-7,11H2,1-3H3
InChIKeyWIOVMTVBSGAZIH-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
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-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
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-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114729699
[(3,5-dimethylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247957
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093754

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (CID 79703912) is N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(F)c1)C1CN(C)CCO1.
What is the InChIKey of N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is WIOVMTVBSGAZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-5-18-16(15-11-19(3)6-7-20-15)13-8-12(2)9-14(17)10-13/h8-10,15-16,18H,4-7,11H2,1-3H3.
What are the key properties of N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79703912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).