N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine

C10H21F2NO — CID 103082762

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCCOCC(F)F
InChIInChI=1S/C10H21F2NO/c1-8(2)6-9(3)13-4-5-14-7-10(11)12/h8-10,13H,4-7H2,1-3H3
InChIKeyNBMRZZSASHWHAT-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.29
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine (PubChem CID 103082762) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine
PubChem CID103082762
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCCOCC(F)F
InChIInChI=1S/C10H21F2NO/c1-8(2)6-9(3)13-4-5-14-7-10(11)12/h8-10,13H,4-7H2,1-3H3
InChIKeyNBMRZZSASHWHAT-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine
CID 82009436
N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 102978065
(2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine
CID 103208190
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106450224
4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol
CID 106451757
N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 102977075
4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637
(4S)-2-methyl-4-[2-[2-[[(2S)-4-methylpentan-2-yl]amino]ethylsulfanylsulfonyloxy]ethylamino]pentane
CID 21128056
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine (CID 103082762) is N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine is CC(C)CC(C)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine?
The InChIKey is NBMRZZSASHWHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-8(2)6-9(3)13-4-5-14-7-10(11)12/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine has a molecular weight of 209.28 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine is sourced from PubChem (CID 103082762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).