N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine

C10H21F2NO — CID 80604812

IUPACN-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
SMILESCCNC(C)(CC(C)(C)OC)C(F)F
InChIInChI=1S/C10H21F2NO/c1-6-13-10(4,8(11)12)7-9(2,3)14-5/h8,13H,6-7H2,1-5H3
InChIKeyAOKJBJUZKBGFIK-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.43
Rot. Bonds6

About N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine

N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine (PubChem CID 80604812) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
PubChem CID80604812
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC NameN-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
SMILESCCNC(C)(CC(C)(C)OC)C(F)F
InChIInChI=1S/C10H21F2NO/c1-6-13-10(4,8(11)12)7-9(2,3)14-5/h8,13H,6-7H2,1-5H3
InChIKeyAOKJBJUZKBGFIK-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032113
N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
CID 89110455
N-tert-butyl-4-methoxy-4-methylpentan-1-amine
CID 103035665
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-Methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
CID 60997688
2,4,4-trimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 61666684
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142
1,1,1-trifluoro-4-methoxy-2-methyl-N-propylbutan-2-amine
CID 66204982
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 66205173
1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
CID 66205958
N-ethyl-1,1,1-trifluoro-4-methoxy-2-methylbutan-2-amine
CID 66206797

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine (CID 80604812) is N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine is CCNC(C)(CC(C)(C)OC)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine?
The InChIKey is AOKJBJUZKBGFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-6-13-10(4,8(11)12)7-9(2,3)14-5/h8,13H,6-7H2,1-5H3.
What are the key properties of N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine?
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine has a molecular weight of 209.28 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 80604812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).