N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine

C11H15F2NO — CID 62380605

IUPACN-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
SMILESFC(F)CNCCCOc1ccccc1
InChIInChI=1S/C11H15F2NO/c12-11(13)9-14-7-4-8-15-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2
InChIKeyJIMQZZZWEHDLDG-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.31
Rot. Bonds7

About N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine

N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine (PubChem CID 62380605) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
PubChem CID62380605
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameN-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
SMILESFC(F)CNCCCOc1ccccc1
InChIInChI=1S/C11H15F2NO/c12-11(13)9-14-7-4-8-15-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2
InChIKeyJIMQZZZWEHDLDG-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-3-(3-methylphenoxy)propan-1-amine
CID 115406974
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
1-cyclopropyl-2-(3-phenoxypropylamino)ethanol
CID 55172175
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
4-(3-phenoxypropylamino)butanenitrile
CID 60696999
2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
CID 64571109
1-(2-phenoxyethylamino)propane-2-thiol;hydrochloride
CID 24843389
5-(3-phenoxypropylamino)pentanenitrile
CID 60697093
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine (CID 62380605) is N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine is FC(F)CNCCCOc1ccccc1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine?
The InChIKey is JIMQZZZWEHDLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-11(13)9-14-7-4-8-15-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2.
What are the key properties of N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine?
N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 62380605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).