N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine

C12H17F2NO — CID 116788817

IUPACN-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
SMILESCOCCCNCC(F)(F)c1ccccc1
InChIInChI=1S/C12H17F2NO/c1-16-9-5-8-15-10-12(13,14)11-6-3-2-4-7-11/h2-4,6-7,15H,5,8-10H2,1H3
InChIKeyLUIODIWZELMRDY-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.40
Rot. Bonds7

About N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine

N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine (PubChem CID 116788817) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
PubChem CID116788817
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
SMILESCOCCCNCC(F)(F)c1ccccc1
InChIInChI=1S/C12H17F2NO/c1-16-9-5-8-15-10-12(13,14)11-6-3-2-4-7-11/h2-4,6-7,15H,5,8-10H2,1H3
InChIKeyLUIODIWZELMRDY-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.40
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-(3-butoxyphenyl)-2,2-difluoroethyl]-3-methoxypropan-1-amine
CID 141357807
6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine
CID 107844571
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792
2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine
CID 116788721
3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
CID 54806182
3-[2-[(2,2-difluoro-2-phenylethyl)amino]ethylsulfanyl]propan-1-ol
CID 114171865
2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine
CID 116789098
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
N'-benzyl-N-(3-methoxypropyl)ethane-1,2-diamine;carbanide;methoxymethane;uranium(2+)
CID 169243785

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine (CID 116788817) is N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine is COCCCNCC(F)(F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine?
The InChIKey is LUIODIWZELMRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-16-9-5-8-15-10-12(13,14)11-6-3-2-4-7-11/h2-4,6-7,15H,5,8-10H2,1H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine?
N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 116788817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).