2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine

C10H21F2NO — CID 135173990

IUPAC2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(F)(F)COC(C)(C)C
InChIInChI=1S/C10H21F2NO/c1-8(2)13-6-10(11,12)7-14-9(3,4)5/h8,13H,6-7H2,1-5H3
InChIKeyYVPVDVMXFWUCHW-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.43
Rot. Bonds5

About 2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine

2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine (PubChem CID 135173990) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine
PubChem CID135173990
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(F)(F)COC(C)(C)C
InChIInChI=1S/C10H21F2NO/c1-8(2)13-6-10(11,12)7-14-9(3,4)5/h8,13H,6-7H2,1-5H3
InChIKeyYVPVDVMXFWUCHW-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-2,2-dimethyl-3-propan-2-yloxypropan-1-amine
CID 58303694
2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 58303698
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
CID 88936095
N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
CID 89110455
3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 89840445
3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine
CID 114782799
3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129140799
3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129140803
[2,2-Difluoro-3-(propan-2-yloxy)propyl](ethyl)amine
CID 134579334
[3-(Tert-butoxy)-2,2-difluoropropyl](ethyl)amine
CID 134579816

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine (CID 135173990) is 2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine is CC(C)NCC(F)(F)COC(C)(C)C.
What is the InChIKey of 2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is YVPVDVMXFWUCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-8(2)13-6-10(11,12)7-14-9(3,4)5/h8,13H,6-7H2,1-5H3.
What are the key properties of 2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine?
2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 209.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 135173990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).