N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine

C10H21F2NO2 — CID 102978065

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCCOCC(F)F)C(C)C
InChIInChI=1S/C10H21F2NO2/c1-8(2)9(6-14-3)13-4-5-15-7-10(11)12/h8-10,13H,4-7H2,1-3H3
InChIKeyKNOQIVMERBHNDM-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.53
Rot. Bonds9

About N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 102978065) has the molecular formula C10H21F2NO2 and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID102978065
Molecular FormulaC10H21F2NO2
Molecular Weight225.28 g/mol
Exact Mass225.15
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCCOCC(F)F)C(C)C
InChIInChI=1S/C10H21F2NO2/c1-8(2)9(6-14-3)13-4-5-15-7-10(11)12/h8-10,13H,4-7H2,1-3H3
InChIKeyKNOQIVMERBHNDM-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine
CID 82009436
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine
CID 103082762
2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine
CID 106345341
ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate
CID 103254023
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
CID 81339100
N,N'-bis(1-butoxy-3-methylbutan-2-yl)butane-1,4-diamine
CID 89076193
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 102977075
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
CID 65049227
1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 65049563

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine (CID 102978065) is N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine is COCC(NCCOCC(F)F)C(C)C.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is KNOQIVMERBHNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO2/c1-8(2)9(6-14-3)13-4-5-15-7-10(11)12/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 225.28 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 102978065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).