1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

C17H27FN2O — CID 114348079

IUPAC1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1ccc(F)cc1C)N1CCOCC1
InChIInChI=1S/C17H27FN2O/c1-4-17(3,20-7-9-21-10-8-20)16(19)12-14-5-6-15(18)11-13(14)2/h5-6,11,16H,4,7-10,12,19H2,1-3H3
InChIKeyXGFSWIINHLURKT-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.50
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (PubChem CID 114348079) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
PubChem CID114348079
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1ccc(F)cc1C)N1CCOCC1
InChIInChI=1S/C17H27FN2O/c1-4-17(3,20-7-9-21-10-8-20)16(19)12-14-5-6-15(18)11-13(14)2/h5-6,11,16H,4,7-10,12,19H2,1-3H3
InChIKeyXGFSWIINHLURKT-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (CID 114348079) is 1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is CCC(C)(C(N)Cc1ccc(F)cc1C)N1CCOCC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The InChIKey is XGFSWIINHLURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-17(3,20-7-9-21-10-8-20)16(19)12-14-5-6-15(18)11-13(14)2/h5-6,11,16H,4,7-10,12,19H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine has a molecular weight of 294.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is sourced from PubChem (CID 114348079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).