2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine

C10H13F2NO — CID 80605254

IUPAC2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cccc(C(N)C(F)F)c1
InChIInChI=1S/C10H13F2NO/c1-14-6-7-3-2-4-8(5-7)9(13)10(11)12/h2-5,9-10H,6,13H2,1H3
InChIKeyIOHCAFVHMSABDX-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.10
Rot. Bonds4

About 2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine

2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine (PubChem CID 80605254) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine
PubChem CID80605254
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cccc(C(N)C(F)F)c1
InChIInChI=1S/C10H13F2NO/c1-14-6-7-3-2-4-8(5-7)9(13)10(11)12/h2-5,9-10H,6,13H2,1H3
InChIKeyIOHCAFVHMSABDX-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-[3-(methoxymethyl)phenyl]methanamine
CID 129411474
1-(1-methoxyethyl)-3-(methoxymethyl)benzene
CID 19879643
1-(1-bromoethyl)-3-(methoxymethyl)benzene
CID 174626315
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
1-[3-(methoxymethyl)phenyl]-2-methylbutan-1-ol
CID 79446126
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
CID 171238999
3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol
CID 82928186
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
1-ethyl-3-(methoxymethyl)benzene
CID 54065687

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of 2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine (CID 80605254) is 2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for 2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine is COCc1cccc(C(N)C(F)F)c1.
What is the InChIKey of 2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine?
The InChIKey is IOHCAFVHMSABDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-14-6-7-3-2-4-8(5-7)9(13)10(11)12/h2-5,9-10H,6,13H2,1H3.
What are the key properties of 2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine?
2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine has a molecular weight of 201.22 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 80605254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).