1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine

C13H25F2NO — CID 114224838

IUPAC1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
SMILESCCNC(CCCOC)CC1CCC(F)(F)C1
InChIInChI=1S/C13H25F2NO/c1-3-16-12(5-4-8-17-2)9-11-6-7-13(14,15)10-11/h11-12,16H,3-10H2,1-2H3
InChIKeyGVLDQNWOPFEDAP-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.22
Rot. Bonds8

About 1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine

1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine (PubChem CID 114224838) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
PubChem CID114224838
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
SMILESCCNC(CCCOC)CC1CCC(F)(F)C1
InChIInChI=1S/C13H25F2NO/c1-3-16-12(5-4-8-17-2)9-11-6-7-13(14,15)10-11/h11-12,16H,3-10H2,1-2H3
InChIKeyGVLDQNWOPFEDAP-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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

1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 114224973
N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine
CID 105190341
1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
CID 65091943
1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine
CID 114224804
N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine
CID 62602456
N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine
CID 114856946
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 114225771
4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 114225307
4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 114225157
1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 114225773
methyl (2S)-2-[[(1S)-3,3-difluorocyclopentyl]methyl]butanoate
CID 58484957
N-ethyl-10-methoxydecan-4-amine
CID 104650043

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine (CID 114224838) is 1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine is CCNC(CCCOC)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine?
The InChIKey is GVLDQNWOPFEDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-3-16-12(5-4-8-17-2)9-11-6-7-13(14,15)10-11/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine?
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine is sourced from PubChem (CID 114224838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).