2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine

C14H27F2NO — CID 114225119

IUPAC2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCCC(C)(CNCCOC)CC1CCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-4-13(2,11-17-7-8-18-3)9-12-5-6-14(15,16)10-12/h12,17H,4-11H2,1-3H3
InChIKeyMBBARJHETWXSKY-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.46
Rot. Bonds8

About 2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine

2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine (PubChem CID 114225119) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
PubChem CID114225119
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCCC(C)(CNCCOC)CC1CCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-4-13(2,11-17-7-8-18-3)9-12-5-6-14(15,16)10-12/h12,17H,4-11H2,1-3H3
InChIKeyMBBARJHETWXSKY-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.46
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

4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 114225307
2-ethyl-N-(2-methoxyethyl)-2,4-dimethylpentan-1-amine
CID 62720062
2-(cyclopropylmethoxymethyl)-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 106930750
1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
CID 130487394
3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
CID 114226519
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2-methylpropoxy)butan-1-amine
CID 106456931
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838
3-[(3,3-difluorocyclopentyl)methyl]-3-hydroxy-2,2-dimethylpentanoic acid
CID 123297799
2-cyclopropyl-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 104819386
2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 114225157
1-[(2-methoxyethylamino)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62774535

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The IUPAC name of 2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine (CID 114225119) is 2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine is CCC(C)(CNCCOC)CC1CCC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The InChIKey is MBBARJHETWXSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-13(2,11-17-7-8-18-3)9-12-5-6-14(15,16)10-12/h12,17H,4-11H2,1-3H3.
What are the key properties of 2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine?
2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 114225119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).