1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C16H26F2N2O — CID 43106895

IUPAC1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(NCC(C(C)C)N(C)C)c1ccccc1OC(F)F
InChIInChI=1S/C16H26F2N2O/c1-11(2)14(20(4)5)10-19-12(3)13-8-6-7-9-15(13)21-16(17)18/h6-9,11-12,14,16,19H,10H2,1-5H3
InChIKeyXGXJRYBMOZNCJS-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.52
Rot. Bonds8

About 1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43106895) has the molecular formula C16H26F2N2O and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43106895
Molecular FormulaC16H26F2N2O
Molecular Weight300.39 g/mol
Exact Mass300.20
IUPAC Name1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(NCC(C(C)C)N(C)C)c1ccccc1OC(F)F
InChIInChI=1S/C16H26F2N2O/c1-11(2)14(20(4)5)10-19-12(3)13-8-6-7-9-15(13)21-16(17)18/h6-9,11-12,14,16,19H,10H2,1-5H3
InChIKeyXGXJRYBMOZNCJS-UHFFFAOYSA-N
XLogP3.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol
CID 110887860
2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476075
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43095815
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 106840787
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
CID 43787074
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutan-1-amine
CID 115721477
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204729
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 60863199
N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 61169297
[1-[[1-[2-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopropyl]methanol
CID 81344008

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43106895) is 1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is CC(NCC(C(C)C)N(C)C)c1ccccc1OC(F)F.
What is the InChIKey of 1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is XGXJRYBMOZNCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2O/c1-11(2)14(20(4)5)10-19-12(3)13-8-6-7-9-15(13)21-16(17)18/h6-9,11-12,14,16,19H,10H2,1-5H3.
What are the key properties of 1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 300.39 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43106895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).