N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine

C10H22FNO — CID 156802611

IUPACN-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCCOCCF
InChIInChI=1S/C10H22FNO/c1-10(2)9-12(3)6-4-7-13-8-5-11/h10H,4-9H2,1-3H3
InChIKeyDGCYNZNGIVTEHD-UHFFFAOYSA-N
MW191.29 g/mol
LogP1.95
Rot. Bonds8

About N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine

N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine (PubChem CID 156802611) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine
PubChem CID156802611
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC NameN-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCCOCCF
InChIInChI=1S/C10H22FNO/c1-10(2)9-12(3)6-4-7-13-8-5-11/h10H,4-9H2,1-3H3
InChIKeyDGCYNZNGIVTEHD-UHFFFAOYSA-N
XLogP1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
1-(3-Ethoxypropyl)-3-fluoroazetidine
CID 118973290
3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 129108301
3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine
CID 134269872
N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
CID 134270019
N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine
CID 134594018
3-(3-Fluoropropoxymethyl)-1-(2-methylpropyl)azetidine
CID 142616577
N-ethyl-3-(1-fluoropropoxy)-N,2-dimethylpropan-1-amine
CID 144384726
3-(1-fluoroethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 144385901
N,N-bis(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 147298784
3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine
CID 155307656

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine (CID 156802611) is N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)CCCOCCF.
What is the InChIKey of N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine?
The InChIKey is DGCYNZNGIVTEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-10(2)9-12(3)6-4-7-13-8-5-11/h10H,4-9H2,1-3H3.
What are the key properties of N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine?
N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine has a molecular weight of 191.29 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 156802611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).