1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C14H18F4N2O — CID 103475455

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1CCc2cccnc21
InChIInChI=1S/C14H18F4N2O/c1-19-11(7-21-8-14(17,18)13(15)16)10-5-4-9-3-2-6-20-12(9)10/h2-3,6,10-11,13,19H,4-5,7-8H2,1H3
InChIKeyPECNYNPZRWDTHM-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.62
Rot. Bonds7

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475455) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475455
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1CCc2cccnc21
InChIInChI=1S/C14H18F4N2O/c1-19-11(7-21-8-14(17,18)13(15)16)10-5-4-9-3-2-6-20-12(9)10/h2-3,6,10-11,13,19H,4-5,7-8H2,1H3
InChIKeyPECNYNPZRWDTHM-UHFFFAOYSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 105166131
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105166002
2-(3-chlorophenoxy)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 105165989
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79747811
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine
CID 79748593
2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79748582
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103169105
2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79732112
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-ethoxy-N-ethylpropan-1-amine
CID 105166170
2-(2-chlorophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79740247

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475455) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is PECNYNPZRWDTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-19-11(7-21-8-14(17,18)13(15)16)10-5-4-9-3-2-6-20-12(9)10/h2-3,6,10-11,13,19H,4-5,7-8H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 306.30 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).