N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine

C16H21F2NO — CID 167789566

IUPACN-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine
SMILESCC1OCC(NCC2(c3ccccc3)CC2(F)F)C1C
InChIInChI=1S/C16H21F2NO/c1-11-12(2)20-8-14(11)19-10-15(9-16(15,17)18)13-6-4-3-5-7-13/h3-7,11-12,14,19H,8-10H2,1-2H3
InChIKeyVHDIUSUTFHFTMM-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.98
Rot. Bonds4

About N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine

N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine (PubChem CID 167789566) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine
PubChem CID167789566
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine
SMILESCC1OCC(NCC2(c3ccccc3)CC2(F)F)C1C
InChIInChI=1S/C16H21F2NO/c1-11-12(2)20-8-14(11)19-10-15(9-16(15,17)18)13-6-4-3-5-7-13/h3-7,11-12,14,19H,8-10H2,1-2H3
InChIKeyVHDIUSUTFHFTMM-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-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 N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine?
The IUPAC name of N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine (CID 167789566) is N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine?
The canonical SMILES for N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine is CC1OCC(NCC2(c3ccccc3)CC2(F)F)C1C.
What is the InChIKey of N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine?
The InChIKey is VHDIUSUTFHFTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-11-12(2)20-8-14(11)19-10-15(9-16(15,17)18)13-6-4-3-5-7-13/h3-7,11-12,14,19H,8-10H2,1-2H3.
What are the key properties of N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine?
N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine has a molecular weight of 281.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-4,5-dimethyloxolan-3-amine is sourced from PubChem (CID 167789566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).