4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine

C15H23FN2O — CID 112562312

IUPAC4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESCOc1c(C)cnc(CC2(F)CCC(N)CC2)c1C
InChIInChI=1S/C15H23FN2O/c1-10-9-18-13(11(2)14(10)19-3)8-15(16)6-4-12(17)5-7-15/h9,12H,4-8,17H2,1-3H3
InChIKeyWQPZWEMPRGNZRZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.86
Rot. Bonds3

About 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine

4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine (PubChem CID 112562312) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
PubChem CID112562312
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESCOc1c(C)cnc(CC2(F)CCC(N)CC2)c1C
InChIInChI=1S/C15H23FN2O/c1-10-9-18-13(11(2)14(10)19-3)8-15(16)6-4-12(17)5-7-15/h9,12H,4-8,17H2,1-3H3
InChIKeyWQPZWEMPRGNZRZ-UHFFFAOYSA-N
XLogP2.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112565621
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268
1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 105136919
4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79112586
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 65142759
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917723
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539196
4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine
CID 115410537
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid
CID 66024192
2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
CID 79452625
1-(1-methoxycyclopentyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 104610582
2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 115927285

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine (CID 112562312) is 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine is COc1c(C)cnc(CC2(F)CCC(N)CC2)c1C.
What is the InChIKey of 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The InChIKey is WQPZWEMPRGNZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10-9-18-13(11(2)14(10)19-3)8-15(16)6-4-12(17)5-7-15/h9,12H,4-8,17H2,1-3H3.
What are the key properties of 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine?
4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine has a molecular weight of 266.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 112562312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).