2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine

C16H16FNO — CID 56673395

IUPAC2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESNC1CC1c1cccc(F)c1OCc1ccccc1
InChIInChI=1S/C16H16FNO/c17-14-8-4-7-12(13-9-15(13)18)16(14)19-10-11-5-2-1-3-6-11/h1-8,13,15H,9-10,18H2
InChIKeyUQQFXBLESPXLHL-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.22
Rot. Bonds4

About 2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine

2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine (PubChem CID 56673395) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
PubChem CID56673395
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESNC1CC1c1cccc(F)c1OCc1ccccc1
InChIInChI=1S/C16H16FNO/c17-14-8-4-7-12(13-9-15(13)18)16(14)19-10-11-5-2-1-3-6-11/h1-8,13,15H,9-10,18H2
InChIKeyUQQFXBLESPXLHL-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-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-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine (CID 56673395) is 2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine is NC1CC1c1cccc(F)c1OCc1ccccc1.
What is the InChIKey of 2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The InChIKey is UQQFXBLESPXLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-14-8-4-7-12(13-9-15(13)18)16(14)19-10-11-5-2-1-3-6-11/h1-8,13,15H,9-10,18H2.
What are the key properties of 2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine?
2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine has a molecular weight of 257.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 56673395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).