1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine

C13H25F2NO2 — CID 114224956

IUPAC1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
SMILESCNC(CCOCCOC)CC1CCC(F)(F)C1
InChIInChI=1S/C13H25F2NO2/c1-16-12(4-6-18-8-7-17-2)9-11-3-5-13(14,15)10-11/h11-12,16H,3-10H2,1-2H3
InChIKeyODNBYAJKLLVPJS-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.45
Rot. Bonds9

About 1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine

1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine (PubChem CID 114224956) has the molecular formula C13H25F2NO2 and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
PubChem CID114224956
Molecular FormulaC13H25F2NO2
Molecular Weight265.34 g/mol
Exact Mass265.19
IUPAC Name1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
SMILESCNC(CCOCCOC)CC1CCC(F)(F)C1
InChIInChI=1S/C13H25F2NO2/c1-16-12(4-6-18-8-7-17-2)9-11-3-5-13(14,15)10-11/h11-12,16H,3-10H2,1-2H3
InChIKeyODNBYAJKLLVPJS-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.45
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-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490288
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490289
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 61491362
N-propyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 64496132
N,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64499080
N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 64505218
N-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 64505698
N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64718531
N-ethyl-4-methyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64719202

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine (CID 114224956) is 1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine is CNC(CCOCCOC)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine?
The InChIKey is ODNBYAJKLLVPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO2/c1-16-12(4-6-18-8-7-17-2)9-11-3-5-13(14,15)10-11/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine?
1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine has a molecular weight of 265.34 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine is sourced from PubChem (CID 114224956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).