1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine

C14H20F2N2 — CID 114226376

IUPAC1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)C2CCCC(F)(F)C2)nc1
InChIInChI=1S/C14H20F2N2/c1-10-4-5-12(18-9-10)7-13(17)11-3-2-6-14(15,16)8-11/h4-5,9,11,13H,2-3,6-8,17H2,1H3
InChIKeyJNXWTADLWJXDOP-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.09
Rot. Bonds3

About 1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine

1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 114226376) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID114226376
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)C2CCCC(F)(F)C2)nc1
InChIInChI=1S/C14H20F2N2/c1-10-4-5-12(18-9-10)7-13(17)11-3-2-6-14(15,16)8-11/h4-5,9,11,13H,2-3,6-8,17H2,1H3
InChIKeyJNXWTADLWJXDOP-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Triprolidine
CID 5282443
Anabasine
CID 205586
(+-)-Dimethindene
CID 21855
Nornicotine
CID 91462
Pheniramine
CID 4761
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Triprolidine Hydrochloride Anhydrous
CID 5702129
Betahistine
CID 2366
5-Ethyl-2-methylpyridine
CID 7728

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine (CID 114226376) is 1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc(CC(N)C2CCCC(F)(F)C2)nc1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is JNXWTADLWJXDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-4-5-12(18-9-10)7-13(17)11-3-2-6-14(15,16)8-11/h4-5,9,11,13H,2-3,6-8,17H2,1H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine?
1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 254.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 114226376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).