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

C13H25F2NO — CID 114225307

IUPAC4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCOCCNCC(C)CCC1CCC(F)(F)C1
InChIInChI=1S/C13H25F2NO/c1-11(10-16-7-8-17-2)3-4-12-5-6-13(14,15)9-12/h11-12,16H,3-10H2,1-2H3
InChIKeyUZNGNEWARIRWBH-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.07
Rot. Bonds8

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

4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine (PubChem CID 114225307) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
PubChem CID114225307
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCOCCNCC(C)CCC1CCC(F)(F)C1
InChIInChI=1S/C13H25F2NO/c1-11(10-16-7-8-17-2)3-4-12-5-6-13(14,15)9-12/h11-12,16H,3-10H2,1-2H3
InChIKeyUZNGNEWARIRWBH-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.07
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

2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 114225119
3-cyclohexyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725662
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
CID 114226519
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 114225157
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 64666288
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
CID 103036807
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The IUPAC name of 4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine (CID 114225307) is 4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine is COCCNCC(C)CCC1CCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The InChIKey is UZNGNEWARIRWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-11(10-16-7-8-17-2)3-4-12-5-6-13(14,15)9-12/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine has a molecular weight of 249.34 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 114225307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).