2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine

C16H26FNO — CID 107661313

IUPAC2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)Oc1cccc(C)c1F
InChIInChI=1S/C16H26FNO/c1-5-7-14(11-18-10-12(2)3)19-15-9-6-8-13(4)16(15)17/h6,8-9,12,14,18H,5,7,10-11H2,1-4H3
InChIKeyCNQXTLAZAZEADG-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.93
Rot. Bonds8

About 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine

2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 107661313) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
PubChem CID107661313
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)Oc1cccc(C)c1F
InChIInChI=1S/C16H26FNO/c1-5-7-14(11-18-10-12(2)3)19-15-9-6-8-13(4)16(15)17/h6,8-9,12,14,18H,5,7,10-11H2,1-4H3
InChIKeyCNQXTLAZAZEADG-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine (CID 107661313) is 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine is CCCC(CNCC(C)C)Oc1cccc(C)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is CNQXTLAZAZEADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-7-14(11-18-10-12(2)3)19-15-9-6-8-13(4)16(15)17/h6,8-9,12,14,18H,5,7,10-11H2,1-4H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine?
2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 107661313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).