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

C16H26F2N2O — CID 61476075

IUPAC2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(NC(CN(C)C)C(C)C)c1ccccc1OC(F)F
InChIInChI=1S/C16H26F2N2O/c1-11(2)14(10-20(4)5)19-12(3)13-8-6-7-9-15(13)21-16(17)18/h6-9,11-12,14,16,19H,10H2,1-5H3
InChIKeyUORPRGZCRAWUSL-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.52
Rot. Bonds8

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

2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 61476075) has the molecular formula C16H26F2N2O and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID61476075
Molecular FormulaC16H26F2N2O
Molecular Weight300.39 g/mol
Exact Mass300.20
IUPAC Name2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(NC(CN(C)C)C(C)C)c1ccccc1OC(F)F
InChIInChI=1S/C16H26F2N2O/c1-11(2)14(10-20(4)5)19-12(3)13-8-6-7-9-15(13)21-16(17)18/h6-9,11-12,14,16,19H,10H2,1-5H3
InChIKeyUORPRGZCRAWUSL-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

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
CID 43787074
1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43106895
2-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476972
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 54954174
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 43207134
N-[1-[2-(difluoromethoxy)phenyl]ethyl]pent-1-yn-3-amine
CID 106225024
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476660
2-N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 103778387
methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 115352796

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 61476075) is 2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(NC(CN(C)C)C(C)C)c1ccccc1OC(F)F.
What is the InChIKey of 2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is UORPRGZCRAWUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2O/c1-11(2)14(10-20(4)5)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 2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-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 2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 61476075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).