N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine

C13H19F2NO — CID 80605766

IUPACN-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(c1ccc(COC)cc1)C(F)F
InChIInChI=1S/C13H19F2NO/c1-3-8-16-12(13(14)15)11-6-4-10(5-7-11)9-17-2/h4-7,12-13,16H,3,8-9H2,1-2H3
InChIKeyBVFNHVLCZNOZDA-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.14
Rot. Bonds7

About N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine

N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine (PubChem CID 80605766) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine
PubChem CID80605766
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(c1ccc(COC)cc1)C(F)F
InChIInChI=1S/C13H19F2NO/c1-3-8-16-12(13(14)15)11-6-4-10(5-7-11)9-17-2/h4-7,12-13,16H,3,8-9H2,1-2H3
InChIKeyBVFNHVLCZNOZDA-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)-2,2-difluoroethyl]propan-1-amine
CID 80604825
N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine
CID 103759862
N-[1-[3-(difluoromethyl)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 113329159
2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 105349131
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
N-[2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 103516612
N-[2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103517310
N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718
4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044369
N-[2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 113260289
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine (CID 80605766) is N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine is CCCNC(c1ccc(COC)cc1)C(F)F.
What is the InChIKey of N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is BVFNHVLCZNOZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-8-16-12(13(14)15)11-6-4-10(5-7-11)9-17-2/h4-7,12-13,16H,3,8-9H2,1-2H3.
What are the key properties of N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine?
N-[2,2-difluoro-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 3.14, 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-1-[4-(methoxymethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 80605766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).