1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

C16H24F2N2O — CID 105136919

IUPAC1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)C2CCC(F)(F)CC2)c1C
InChIInChI=1S/C16H24F2N2O/c1-10-9-20-14(11(2)15(10)21-3)8-13(19)12-4-6-16(17,18)7-5-12/h9,12-13H,4-8,19H2,1-3H3
InChIKeyDOTGVGFNZZRTRN-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.40
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (PubChem CID 105136919) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
PubChem CID105136919
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)C2CCC(F)(F)CC2)c1C
InChIInChI=1S/C16H24F2N2O/c1-10-9-20-14(11(2)15(10)21-3)8-13(19)12-4-6-16(17,18)7-5-12/h9,12-13H,4-8,19H2,1-3H3
InChIKeyDOTGVGFNZZRTRN-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methoxycyclopentyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 104610582
4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 112562312
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017
3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 115844027
1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 62600019
3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112565621
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 79960403
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol
CID 103564266
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 79663946

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (CID 105136919) is 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is COc1c(C)cnc(CC(N)C2CCC(F)(F)CC2)c1C.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The InChIKey is DOTGVGFNZZRTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-10-9-20-14(11(2)15(10)21-3)8-13(19)12-4-6-16(17,18)7-5-12/h9,12-13H,4-8,19H2,1-3H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine has a molecular weight of 298.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 105136919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).