N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine

C12H17F2N — CID 115405623

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
SMILESCc1ccc(C(C)NCC(F)F)cc1C
InChIInChI=1S/C12H17F2N/c1-8-4-5-11(6-9(8)2)10(3)15-7-12(13)14/h4-6,10,12,15H,7H2,1-3H3
InChIKeyXSFHYTNTYYRZTF-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.22
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine

N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine (PubChem CID 115405623) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
PubChem CID115405623
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
SMILESCc1ccc(C(C)NCC(F)F)cc1C
InChIInChI=1S/C12H17F2N/c1-8-4-5-11(6-9(8)2)10(3)15-7-12(13)14/h4-6,10,12,15H,7H2,1-3H3
InChIKeyXSFHYTNTYYRZTF-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143106
4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 66090823
1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43099857
N-[1-(3,4-dimethylphenyl)ethyl]-2-prop-2-enoxypropan-1-amine
CID 114264126
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
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3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831
2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
CID 75382531
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2,2-difluoroethanamine
CID 115405734
1-(3,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780942
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
CID 43098047
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
CID 113261628
N-[1-(3,4-dimethylphenyl)ethyl]-5-methoxypentan-1-amine
CID 103779839

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine (CID 115405623) is N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine is Cc1ccc(C(C)NCC(F)F)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine?
The InChIKey is XSFHYTNTYYRZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8-4-5-11(6-9(8)2)10(3)15-7-12(13)14/h4-6,10,12,15H,7H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine?
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine has a molecular weight of 213.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115405623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).