N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine

C18H22FNO — CID 107661150

IUPACN-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
SMILESCCCNCC(Oc1cccc(C)c1F)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-3-12-20-13-17(15-9-5-4-6-10-15)21-16-11-7-8-14(2)18(16)19/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeyXRKGWBHRZZGRSD-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.25
Rot. Bonds7

About N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine

N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine (PubChem CID 107661150) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
PubChem CID107661150
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
SMILESCCCNCC(Oc1cccc(C)c1F)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-3-12-20-13-17(15-9-5-4-6-10-15)21-16-11-7-8-14(2)18(16)19/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeyXRKGWBHRZZGRSD-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine
CID 63647905
2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
CID 107661333
N-(2-phenoxy-2-phenylethyl)propan-1-amine
CID 62452576
N-(2-phenyl-2-propan-2-yloxyethyl)propan-1-amine
CID 62108020
2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine
CID 62454029
N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine
CID 81341788
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
N-[2-(3,4-dichlorophenoxy)-2-phenylethyl]propan-1-amine
CID 63498262
2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107661313
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107656247
2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine
CID 62458549
2-(2,6-dimethylphenoxy)-N-propylpropan-1-amine
CID 54798323

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine (CID 107661150) is N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine is CCCNCC(Oc1cccc(C)c1F)c1ccccc1.
What is the InChIKey of N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine?
The InChIKey is XRKGWBHRZZGRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-12-20-13-17(15-9-5-4-6-10-15)21-16-11-7-8-14(2)18(16)19/h4-11,17,20H,3,12-13H2,1-2H3.
What are the key properties of N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine?
N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 107661150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).