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

Analyze N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).