N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine

C16H24FNO — CID 164634196

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
SMILESCc1ccc(CN(C)CC[C@H]2CCCCO2)cc1F
InChIInChI=1S/C16H24FNO/c1-13-6-7-14(11-16(13)17)12-18(2)9-8-15-5-3-4-10-19-15/h6-7,11,15H,3-5,8-10,12H2,1-2H3/t15-/m1/s1
InChIKeyCELHHAUXVIUHRP-OAHLLOKOSA-N
MW265.37 g/mol
LogP3.53
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine

N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine (PubChem CID 164634196) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
PubChem CID164634196
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
SMILESCc1ccc(CN(C)CC[C@H]2CCCCO2)cc1F
InChIInChI=1S/C16H24FNO/c1-13-6-7-14(11-16(13)17)12-18(2)9-8-15-5-3-4-10-19-15/h6-7,11,15H,3-5,8-10,12H2,1-2H3/t15-/m1/s1
InChIKeyCELHHAUXVIUHRP-OAHLLOKOSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine (CID 164634196) is N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine is Cc1ccc(CN(C)CC[C@H]2CCCCO2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine?
The InChIKey is CELHHAUXVIUHRP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24FNO/c1-13-6-7-14(11-16(13)17)12-18(2)9-8-15-5-3-4-10-19-15/h6-7,11,15H,3-5,8-10,12H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine?
N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine is sourced from PubChem (CID 164634196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).