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

C12H17F2NO2 — CID 113303579

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
SMILESCOc1ccc(C(C)NCC(F)F)c(OC)c1
InChIInChI=1S/C12H17F2NO2/c1-8(15-7-12(13)14)10-5-4-9(16-2)6-11(10)17-3/h4-6,8,12,15H,7H2,1-3H3
InChIKeyHZRSWPQMTCWPLL-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.62
Rot. Bonds6

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

N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine (PubChem CID 113303579) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
PubChem CID113303579
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
SMILESCOc1ccc(C(C)NCC(F)F)c(OC)c1
InChIInChI=1S/C12H17F2NO2/c1-8(15-7-12(13)14)10-5-4-9(16-2)6-11(10)17-3/h4-6,8,12,15H,7H2,1-3H3
InChIKeyHZRSWPQMTCWPLL-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
1-cyclopropyl-2-[1-(2,4-dimethoxyphenyl)ethylamino]ethanol
CID 63294530
1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43194863
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
CID 113348558
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776970
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 103901344

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine (CID 113303579) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine is COc1ccc(C(C)NCC(F)F)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine?
The InChIKey is HZRSWPQMTCWPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-8(15-7-12(13)14)10-5-4-9(16-2)6-11(10)17-3/h4-6,8,12,15H,7H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine has a molecular weight of 245.27 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine is sourced from PubChem (CID 113303579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).