N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine

C12H18F2N2O2 — CID 113303693

IUPACN-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(CN)NCC(F)F)c1
InChIInChI=1S/C12H18F2N2O2/c1-17-8-3-4-11(18-2)9(5-8)10(6-15)16-7-12(13)14/h3-5,10,12,16H,6-7,15H2,1-2H3
InChIKeyUTCUYHYNRZPTNF-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.56
Rot. Bonds7

About N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine

N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 113303693) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID113303693
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC NameN-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(CN)NCC(F)F)c1
InChIInChI=1S/C12H18F2N2O2/c1-17-8-3-4-11(18-2)9(5-8)10(6-15)16-7-12(13)14/h3-5,10,12,16H,6-7,15H2,1-2H3
InChIKeyUTCUYHYNRZPTNF-UHFFFAOYSA-N
XLogP1.56
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115406448
1-(2,5-dimethoxyphenyl)-N-pent-3-ynylethane-1,2-diamine
CID 116643369
1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377522
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
N-(2,2-difluoroethyl)-1-(2-methoxynaphthalen-1-yl)ethane-1,2-diamine
CID 115406276

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine (CID 113303693) is N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine is COc1ccc(OC)c(C(CN)NCC(F)F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is UTCUYHYNRZPTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-17-8-3-4-11(18-2)9(5-8)10(6-15)16-7-12(13)14/h3-5,10,12,16H,6-7,15H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 260.28 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 113303693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).