1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine

C12H17F2NO — CID 82004722

IUPAC1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(OCC(F)F)C(C)N
InChIInChI=1S/C12H17F2NO/c1-8-5-3-4-6-10(8)12(9(2)15)16-7-11(13)14/h3-6,9,11-12H,7,15H2,1-2H3
InChIKeyNANKBKJYAVFGQN-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.67
Rot. Bonds5

About 1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine

1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine (PubChem CID 82004722) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine
PubChem CID82004722
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(OCC(F)F)C(C)N
InChIInChI=1S/C12H17F2NO/c1-8-5-3-4-6-10(8)12(9(2)15)16-7-11(13)14/h3-6,9,11-12H,7,15H2,1-2H3
InChIKeyNANKBKJYAVFGQN-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
CID 55019252
1-[2-(3-methoxypropoxy)ethoxy]-1-(2-methylphenyl)propan-2-amine
CID 103176903
1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
CID 55018719
1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine
CID 114208275
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine
CID 55019249
1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283025
1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine
CID 63461961
1-[bis(2-methylpropoxy)methyl]-2-methylbenzene
CID 22034846
2-(2-methylphenyl)propylhydrazine
CID 130631257
1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
CID 82828300
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine (CID 82004722) is 1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1C(OCC(F)F)C(C)N.
What is the InChIKey of 1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine?
The InChIKey is NANKBKJYAVFGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8-5-3-4-6-10(8)12(9(2)15)16-7-11(13)14/h3-6,9,11-12H,7,15H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine?
1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 82004722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).